3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H21N3 — CID 117151812

IUPAC3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2CCCCC2)C1
InChIInChI=1S/C13H21N3/c1-10-7-8-16-12(9-10)14-15-13(16)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyXMJDQXZMKXYWJP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds1

About 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117151812) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117151812
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2CCCCC2)C1
InChIInChI=1S/C13H21N3/c1-10-7-8-16-12(9-10)14-15-13(16)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyXMJDQXZMKXYWJP-UHFFFAOYSA-N
XLogP2.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65020958
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 83866335
3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551575
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine
CID 83866394
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150834
7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252759
3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532693

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117151812) is 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(nnc2C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XMJDQXZMKXYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-8-16-12(9-10)14-15-13(16)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).