2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine

C16H24N4 — CID 64775364

IUPAC2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCc2nnc3ccccn23)C1
InChIInChI=1S/C16H24N4/c1-12-6-7-13(2)14(11-12)17-9-8-16-19-18-15-5-3-4-10-20(15)16/h3-5,10,12-14,17H,6-9,11H2,1-2H3
InChIKeyACOKVZYKCREEJA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.69
Rot. Bonds4

About 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine

2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 64775364) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
PubChem CID64775364
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCc2nnc3ccccn23)C1
InChIInChI=1S/C16H24N4/c1-12-6-7-13(2)14(11-12)17-9-8-16-19-18-15-5-3-4-10-20(15)16/h3-5,10,12-14,17H,6-9,11H2,1-2H3
InChIKeyACOKVZYKCREEJA-UHFFFAOYSA-N
XLogP2.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656471
4-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656296
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiolan-3-amine
CID 43181741
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 94167814
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43203679
2,6-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 91647175
1-(3,5-dimethylcyclohexyl)-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111995639
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335
1-ethyl-3-(2-methylcyclopropyl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111961001
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
CID 64634362
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine (CID 64775364) is 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is CC1CCC(C)C(NCCc2nnc3ccccn23)C1.
What is the InChIKey of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ACOKVZYKCREEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-6-7-13(2)14(11-12)17-9-8-16-19-18-15-5-3-4-10-20(15)16/h3-5,10,12-14,17H,6-9,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine?
2,5-dimethyl-N-[2-([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 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64775364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).