2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide

C7H9N5O — CID 130645081

IUPAC2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C#N)C(=O)Nc1nncn1C
InChIInChI=1S/C7H9N5O/c1-5(3-8)6(13)10-7-11-9-4-12(7)2/h4-5H,1-2H3,(H,10,11,13)
InChIKeyGUAOOGPSFQKLSI-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.09
Rot. Bonds2

About 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide

2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 130645081) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID130645081
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C#N)C(=O)Nc1nncn1C
InChIInChI=1S/C7H9N5O/c1-5(3-8)6(13)10-7-11-9-4-12(7)2/h4-5H,1-2H3,(H,10,11,13)
InChIKeyGUAOOGPSFQKLSI-UHFFFAOYSA-N
XLogP-0.09
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
CID 130993463
3-methyl-N-(4-methyl-1,2,4-triazol-3-yl)but-2-enamide
CID 131084608
2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 62118665
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 115635315
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491
2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
CID 154865835
1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 86817328
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368
2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
CID 131007644
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
CID 118652798

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 130645081) is 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide is CC(C#N)C(=O)Nc1nncn1C.
What is the InChIKey of 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is GUAOOGPSFQKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-5(3-8)6(13)10-7-11-9-4-12(7)2/h4-5H,1-2H3,(H,10,11,13).
What are the key properties of 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 179.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 130645081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).