N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C14H17N5 — CID 61310336

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ncn(-c2ccc(NC3CC4CCC3C4)cn2)n1
InChIInChI=1S/C14H17N5/c1-2-11-5-10(1)6-13(11)18-12-3-4-14(16-7-12)19-9-15-8-17-19/h3-4,7-11,13,18H,1-2,5-6H2
InChIKeyIQUKDMTUJWXWFR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.26
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61310336) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61310336
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ncn(-c2ccc(NC3CC4CCC3C4)cn2)n1
InChIInChI=1S/C14H17N5/c1-2-11-5-10(1)6-13(11)18-12-3-4-14(16-7-12)19-9-15-8-17-19/h3-4,7-11,13,18H,1-2,5-6H2
InChIKeyIQUKDMTUJWXWFR-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine 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-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61310336) is N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is c1ncn(-c2ccc(NC3CC4CCC3C4)cn2)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is IQUKDMTUJWXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-11-5-10(1)6-13(11)18-12-3-4-14(16-7-12)19-9-15-8-17-19/h3-4,7-11,13,18H,1-2,5-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 255.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61310336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).