N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide

C17H21N7O — CID 72885088

IUPACN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(-n2cnnc2)c1)c1ncnn1C
InChIInChI=1S/C17H21N7O/c1-12(2)7-15(16-18-9-21-23(16)3)22-17(25)13-5-4-6-14(8-13)24-10-19-20-11-24/h4-6,8-12,15H,7H2,1-3H3,(H,22,25)
InChIKeyMOJSWOIBRIUNBK-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.91
Rot. Bonds6

About N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 72885088) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID72885088
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(-n2cnnc2)c1)c1ncnn1C
InChIInChI=1S/C17H21N7O/c1-12(2)7-15(16-18-9-21-23(16)3)22-17(25)13-5-4-6-14(8-13)24-10-19-20-11-24/h4-6,8-12,15H,7H2,1-3H3,(H,22,25)
InChIKeyMOJSWOIBRIUNBK-UHFFFAOYSA-N
XLogP1.91
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)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-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 72885088) is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide is CC(C)CC(NC(=O)c1cccc(-n2cnnc2)c1)c1ncnn1C.
What is the InChIKey of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is MOJSWOIBRIUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12(2)7-15(16-18-9-21-23(16)3)22-17(25)13-5-4-6-14(8-13)24-10-19-20-11-24/h4-6,8-12,15H,7H2,1-3H3,(H,22,25).
What are the key properties of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 72885088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).