2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C14H18N4O — CID 61034736

IUPAC2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)13(19)17-12-6-4-5-11(7-12)8-18-10-15-9-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyIASAXOJOGGHQBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds3

About 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 61034736) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID61034736
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)13(19)17-12-6-4-5-11(7-12)8-18-10-15-9-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyIASAXOJOGGHQBL-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
tert-butyl N-[3-[3-(1,2,4-triazol-1-ylmethyl)anilino]propyl]carbamate
CID 113269167
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249
1-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 118778636
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 61034736) is 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is IASAXOJOGGHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)13(19)17-12-6-4-5-11(7-12)8-18-10-15-9-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 61034736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).