2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide

C12H14N6O2 — CID 60847131

IUPAC2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C12H14N6O2/c13-8(5-11(14)19)12(20)17-9-3-1-2-4-10(9)18-7-15-6-16-18/h1-4,6-8H,5,13H2,(H2,14,19)(H,17,20)
InChIKeyIXMXUMDPHMIPSJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.59
Rot. Bonds5

About 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide

2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide (PubChem CID 60847131) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
PubChem CID60847131
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C12H14N6O2/c13-8(5-11(14)19)12(20)17-9-3-1-2-4-10(9)18-7-15-6-16-18/h1-4,6-8H,5,13H2,(H2,14,19)(H,17,20)
InChIKeyIXMXUMDPHMIPSJ-UHFFFAOYSA-N
XLogP-0.59
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 104683976
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide (CID 60847131) is 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide?
The InChIKey is IXMXUMDPHMIPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-8(5-11(14)19)12(20)17-9-3-1-2-4-10(9)18-7-15-6-16-18/h1-4,6-8H,5,13H2,(H2,14,19)(H,17,20).
What are the key properties of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide?
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide has a molecular weight of 274.28 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide is sourced from PubChem (CID 60847131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).