N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H19N7O2 — CID 91784019

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cccn2cnnc12
InChIInChI=1S/C17H19N7O2/c25-8-14-20-22-15(24(14)12-3-4-12)10-6-11(7-10)19-17(26)13-2-1-5-23-9-18-21-16(13)23/h1-2,5,9-12,25H,3-4,6-8H2,(H,19,26)
InChIKeyCEJBZRBMXMLFIH-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.82
Rot. Bonds5

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 91784019) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID91784019
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cccn2cnnc12
InChIInChI=1S/C17H19N7O2/c25-8-14-20-22-15(24(14)12-3-4-12)10-6-11(7-10)19-17(26)13-2-1-5-23-9-18-21-16(13)23/h1-2,5,9-12,25H,3-4,6-8H2,(H,19,26)
InChIKeyCEJBZRBMXMLFIH-UHFFFAOYSA-N
XLogP0.82
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide 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-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 91784019) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cccn2cnnc12.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is CEJBZRBMXMLFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c25-8-14-20-22-15(24(14)12-3-4-12)10-6-11(7-10)19-17(26)13-2-1-5-23-9-18-21-16(13)23/h1-2,5,9-12,25H,3-4,6-8H2,(H,19,26).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 91784019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).