Name: Name:bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3-thiol
Brand: Angene
SKU: AG019HDW
Rating: 90 (10 reviews)

bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3-thiol

CAS No.:

620590-31-0

Catalog Number:

AG019HDW

Molecular Formula:

C8H13N7S

Molecular Weight:

239.3007

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Product Description

Catalog Number:

AG019HDW

Chemical Name:

bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3-thiol

CAS Number:

620590-31-0

Molecular Formula:

C8H13N7S

Molecular Weight:

239.3007

MDL Number:

MFCD02671520

IUPAC Name:

5,7-bis(ethylamino)-2H-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3-thione

InChI:

InChI=1S/C8H13N7S/c1-3-9-5-11-6(10-4-2)15-7(12-5)13-14-8(15)16/h3-4H2,1-2H3,(H,14,16)(H2,9,10,11,12,13)

InChI Key:

DNFQERGRIVUQFQ-UHFFFAOYSA-N

SMILES:

CCNc1nc(NCC)n2c(n1)nnc2S

Properties

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.301g/mol

Monoisotopic Mass:

239.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties