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

C11H19N3 — CID 170928414

IUPAC3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC(CC(C)C)C2
InChIInChI=1S/C11H19N3/c1-8(2)6-10-4-5-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3
InChIKeyOAXYWEQOWOWUBE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.20
Rot. Bonds2

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

3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 170928414) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID170928414
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC(CC(C)C)C2
InChIInChI=1S/C11H19N3/c1-8(2)6-10-4-5-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3
InChIKeyOAXYWEQOWOWUBE-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
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
3-Cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134133542
3-(2-cyclohexylethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 136196502
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
7-(Cyclohexylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193669
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 170928414) is 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2n1CCC(CC(C)C)C2.
What is the InChIKey of 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OAXYWEQOWOWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)6-10-4-5-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 170928414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).