N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H21N5 — CID 65080282

IUPACN-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1CCCC(Nc2cccnc2-n2cncn2)CC1
InChIInChI=1S/C15H21N5/c1-12-4-2-5-13(8-7-12)19-14-6-3-9-17-15(14)20-11-16-10-18-20/h3,6,9-13,19H,2,4-5,7-8H2,1H3
InChIKeyDGAXGWBIIZVEHN-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.04
Rot. Bonds3

About N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 65080282) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID65080282
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1CCCC(Nc2cccnc2-n2cncn2)CC1
InChIInChI=1S/C15H21N5/c1-12-4-2-5-13(8-7-12)19-14-6-3-9-17-15(14)20-11-16-10-18-20/h3,6,9-13,19H,2,4-5,7-8H2,1H3
InChIKeyDGAXGWBIIZVEHN-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 65080282) is N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC1CCCC(Nc2cccnc2-n2cncn2)CC1.
What is the InChIKey of N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is DGAXGWBIIZVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-4-2-5-13(8-7-12)19-14-6-3-9-17-15(14)20-11-16-10-18-20/h3,6,9-13,19H,2,4-5,7-8H2,1H3.
What are the key properties of N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 65080282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).