N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide

C10H12N6O — CID 959826

IUPACN-(2-propyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C10H12N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3,(H,12,14,17)
InChIKeyXOASPRKQNFEBIG-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.73
Rot. Bonds4

About N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide

N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide (PubChem CID 959826) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propyltetrazol-5-yl)pyridine-3-carboxamide
PubChem CID959826
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-(2-propyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C10H12N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3,(H,12,14,17)
InChIKeyXOASPRKQNFEBIG-UHFFFAOYSA-N
XLogP0.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide (CID 959826) is N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide is CCCn1nnc(NC(=O)c2cccnc2)n1.
What is the InChIKey of N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is XOASPRKQNFEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3,(H,12,14,17).
What are the key properties of N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide?
N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyltetrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 959826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).