2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine

C16H24N4 — CID 79828642

IUPAC2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1nnc2ccccn12
InChIInChI=1S/C16H24N4/c1-12(17-13-8-4-6-10-16(13,2)3)15-19-18-14-9-5-7-11-20(14)15/h5,7,9,11-13,17H,4,6,8,10H2,1-3H3
InChIKeyCFPGNYZEQYNKQQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.35
Rot. Bonds3

About 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine

2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 79828642) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
PubChem CID79828642
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1nnc2ccccn12
InChIInChI=1S/C16H24N4/c1-12(17-13-8-4-6-10-16(13,2)3)15-19-18-14-9-5-7-11-20(14)15/h5,7,9,11-13,17H,4,6,8,10H2,1-3H3
InChIKeyCFPGNYZEQYNKQQ-UHFFFAOYSA-N
XLogP3.35
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (CID 79828642) is 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCCC1(C)C)c1nnc2ccccn12.
What is the InChIKey of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is CFPGNYZEQYNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(17-13-8-4-6-10-16(13,2)3)15-19-18-14-9-5-7-11-20(14)15/h5,7,9,11-13,17H,4,6,8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79828642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).