[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C14H24N4 — CID 106831429

IUPAC[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCC1(c2nnc3n2CCC(CN)C3)CCCCC1
InChIInChI=1S/C14H24N4/c1-14(6-3-2-4-7-14)13-17-16-12-9-11(10-15)5-8-18(12)13/h11H,2-10,15H2,1H3
InChIKeyLNKNBKXQFCANTO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds2

About [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 106831429) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID106831429
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCC1(c2nnc3n2CCC(CN)C3)CCCCC1
InChIInChI=1S/C14H24N4/c1-14(6-3-2-4-7-14)13-17-16-12-9-11(10-15)5-8-18(12)13/h11H,2-10,15H2,1H3
InChIKeyLNKNBKXQFCANTO-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine with MolForge

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Related Compounds

[3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392393
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 105392323
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871112
[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392362
[3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392411
3-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 130553704
[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cycloheptyl]methanamine
CID 115444483
[3-(3-ethyl-1-methylpyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392334
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392348
3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252145
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 106831429) is [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is CC1(c2nnc3n2CCC(CN)C3)CCCCC1.
What is the InChIKey of [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is LNKNBKXQFCANTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(6-3-2-4-7-14)13-17-16-12-9-11(10-15)5-8-18(12)13/h11H,2-10,15H2,1H3.
What are the key properties of [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 106831429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).