Name: Name:5-isopropyl-2,4-dihydro-[1,2,4]triazol-3-one
Brand: Angene
SKU: AG01BS7Z
Rating: 90 (10 reviews)

5-isopropyl-2,4-dihydro-[1,2,4]triazol-3-one

CAS No.:

932-63-8

Catalog Number:

AG01BS7Z

Molecular Formula:

C5H9N3O

Molecular Weight:

127.1445

Catalog Number:

AG01BS7Z

Chemical Name:

5-isopropyl-2,4-dihydro-[1,2,4]triazol-3-one

CAS Number:

932-63-8

Molecular Formula:

C5H9N3O

Molecular Weight:

127.1445

MDL Number:

MFCD20049079

IUPAC Name:

3-propan-2-yl-1,4-dihydro-1,2,4-triazol-5-one

InChI:

InChI=1S/C5H9N3O/c1-3(2)4-6-5(9)8-7-4/h3H,1-2H3,(H2,6,7,8,9)

InChI Key:

FXRNGWMBBYYQKS-UHFFFAOYSA-N

SMILES:

CC(c1n[nH]c(=O)[nH]1)C

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

127.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

127.147g/mol

Monoisotopic Mass:

127.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2