Name: Name:4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01EITO
Rating: 90 (10 reviews)

4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

67130-52-3

Catalog Number:

AG01EITO

Molecular Formula:

C7H10N6S

Molecular Weight:

210.2595

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Product Description

Catalog Number:

AG01EITO

Chemical Name:

4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

67130-52-3

Molecular Formula:

C7H10N6S

Molecular Weight:

210.2595

MDL Number:

MFCD01099653

IUPAC Name:

4-amino-3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C7H10N6S/c1-4-3-5(2)13(11-4)6-9-10-7(14)12(6)8/h3H,8H2,1-2H3,(H,10,14)

InChI Key:

ASFSLPHUVSWMJK-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1)C)c1nnc(n1N)S

Properties

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.259g/mol

Monoisotopic Mass:

210.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

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