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

C10H17N3 — CID 123697713

IUPAC3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC(C(C)C)C2
InChIInChI=1S/C10H17N3/c1-7(2)9-4-5-13-8(3)11-12-10(13)6-9/h7,9H,4-6H2,1-3H3
InChIKeyWVLNIMPGOCWAHA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.80
Rot. Bonds1

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

3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123697713) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123697713
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC(C(C)C)C2
InChIInChI=1S/C10H17N3/c1-7(2)9-4-5-13-8(3)11-12-10(13)6-9/h7,9H,4-6H2,1-3H3
InChIKeyWVLNIMPGOCWAHA-UHFFFAOYSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416
3-Chloro-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyridine
CID 77520207
(3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine
CID 83678785
(3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine dihydrochloride
CID 137942666
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559793
6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559822
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115
(9S)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)-9-methyl-6-azaspiro[3.5]nonane
CID 164642918
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
3-(4-Fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
CID 142265865

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123697713) is 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2n1CCC(C(C)C)C2.
What is the InChIKey of 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WVLNIMPGOCWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-4-5-13-8(3)11-12-10(13)6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 179.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).