N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H17N5 — CID 43782804

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESC1=CC2CC1CC2CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H17N5/c1-2-12-5-11(1)6-13(12)7-17-14-3-4-15(18-8-14)20-10-16-9-19-20/h1-4,8-13,17H,5-7H2
InChIKeyZXKTWBUIJUPKBV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.29
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43782804) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43782804
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESC1=CC2CC1CC2CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H17N5/c1-2-12-5-11(1)6-13(12)7-17-14-3-4-15(18-8-14)20-10-16-9-19-20/h1-4,8-13,17H,5-7H2
InChIKeyZXKTWBUIJUPKBV-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43782804) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is C1=CC2CC1CC2CNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is ZXKTWBUIJUPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-12-5-11(1)6-13(12)7-17-14-3-4-15(18-8-14)20-10-16-9-19-20/h1-4,8-13,17H,5-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 267.34 g/mol, XLogP of 2.29, 4 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]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43782804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).