2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide

C14H19N5O — CID 65225295

IUPAC2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
SMILESCC(C)C(CN)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-10(2)11(7-15)14(20)18-12-5-3-4-6-13(12)19-9-16-8-17-19/h3-6,8-11H,7,15H2,1-2H3,(H,18,20)
InChIKeyDOILMPWQHCFSTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.44
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide

2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide (PubChem CID 65225295) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
PubChem CID65225295
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
SMILESCC(C)C(CN)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-10(2)11(7-15)14(20)18-12-5-3-4-6-13(12)19-9-16-8-17-19/h3-6,8-11H,7,15H2,1-2H3,(H,18,20)
InChIKeyDOILMPWQHCFSTM-UHFFFAOYSA-N
XLogP1.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 104683976
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-(aminomethyl)-3-methyl-N-(2-methylsulfonylphenyl)butanamide
CID 65225020
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
CID 65225738
ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide (CID 65225295) is 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide is CC(C)C(CN)C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide?
The InChIKey is DOILMPWQHCFSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(2)11(7-15)14(20)18-12-5-3-4-6-13(12)19-9-16-8-17-19/h3-6,8-11H,7,15H2,1-2H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide?
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 65225295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).