N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide

C13H16N4O — CID 24615677

IUPACN-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(2)16-13(18)12-5-3-11(4-6-12)7-17-9-14-8-15-17/h3-6,8-10H,7H2,1-2H3,(H,16,18)
InChIKeySSZRPFAJUQLXCJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds4

About N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24615677) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24615677
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(2)16-13(18)12-5-3-11(4-6-12)7-17-9-14-8-15-17/h3-6,8-10H,7H2,1-2H3,(H,16,18)
InChIKeySSZRPFAJUQLXCJ-UHFFFAOYSA-N
XLogP1.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24615677) is N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC(C)NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is SSZRPFAJUQLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(2)16-13(18)12-5-3-11(4-6-12)7-17-9-14-8-15-17/h3-6,8-10H,7H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).