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

C15H26N4 — CID 117152608

IUPAC8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCn2c1nnc2C1CCCN(C(C)C)C1
InChIInChI=1S/C15H26N4/c1-11(2)18-8-5-7-13(10-18)15-17-16-14-12(3)6-4-9-19(14)15/h11-13H,4-10H2,1-3H3
InChIKeyJBANDTPHDFBUMB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.76
Rot. Bonds2

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

8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117152608) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117152608
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCn2c1nnc2C1CCCN(C(C)C)C1
InChIInChI=1S/C15H26N4/c1-11(2)18-8-5-7-13(10-18)15-17-16-14-12(3)6-4-9-19(14)15/h11-13H,4-10H2,1-3H3
InChIKeyJBANDTPHDFBUMB-UHFFFAOYSA-N
XLogP2.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179
8-methyl-2-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157811
1-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 112711460
3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141026
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 95820117
4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147818
[3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149532
3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148268
2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117152404
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645
3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
CID 58431143

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117152608) is 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCCn2c1nnc2C1CCCN(C(C)C)C1.
What is the InChIKey of 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JBANDTPHDFBUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)18-8-5-7-13(10-18)15-17-16-14-12(3)6-4-9-19(14)15/h11-13H,4-10H2,1-3H3.
What are the key properties of 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 262.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117152608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).