N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C16H23N5 — CID 62708772

IUPACN-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(C)C1CCC(Nc2ccc(-n3cncn3)nc2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)13-3-5-14(6-4-13)20-15-7-8-16(18-9-15)21-11-17-10-19-21/h7-14,20H,3-6H2,1-2H3
InChIKeyNKZOQVIPHYDBAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds4

About N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 62708772) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID62708772
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(C)C1CCC(Nc2ccc(-n3cncn3)nc2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)13-3-5-14(6-4-13)20-15-7-8-16(18-9-15)21-11-17-10-19-21/h7-14,20H,3-6H2,1-2H3
InChIKeyNKZOQVIPHYDBAF-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 62708772) is N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(C)C1CCC(Nc2ccc(-n3cncn3)nc2)CC1.
What is the InChIKey of N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is NKZOQVIPHYDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)13-3-5-14(6-4-13)20-15-7-8-16(18-9-15)21-11-17-10-19-21/h7-14,20H,3-6H2,1-2H3.
What are the key properties of N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 62708772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).