N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide

C14H15N5O — CID 79286471

IUPACN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C14H15N5O/c1-3-8-15-9-13(20)17-12-6-4-11(5-7-12)14-18-16-10-19(14)2/h1,4-7,10,15H,8-9H2,2H3,(H,17,20)
InChIKeyUAUMFYLFKJHFQB-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.64
Rot. Bonds5

About N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide

N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79286471) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79286471
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C14H15N5O/c1-3-8-15-9-13(20)17-12-6-4-11(5-7-12)14-18-16-10-19(14)2/h1,4-7,10,15H,8-9H2,2H3,(H,17,20)
InChIKeyUAUMFYLFKJHFQB-UHFFFAOYSA-N
XLogP0.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62839702
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452405
2,2,2-trifluoroethyl N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamate
CID 62494813
(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 107568474
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273398
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide (CID 79286471) is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is UAUMFYLFKJHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-8-15-9-13(20)17-12-6-4-11(5-7-12)14-18-16-10-19(14)2/h1,4-7,10,15H,8-9H2,2H3,(H,17,20).
What are the key properties of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide?
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 269.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).