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

C15H26N4 — CID 161413623

IUPAC3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)CN1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C15H26N4/c1-12(2)11-18-9-6-13(7-10-18)15-17-16-14-5-3-4-8-19(14)15/h12-13H,3-11H2,1-2H3
InChIKeySGFGGOFOYFLFPY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds3

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

3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161413623) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID161413623
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)CN1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C15H26N4/c1-12(2)11-18-9-6-13(7-10-18)15-17-16-14-5-3-4-8-19(14)15/h12-13H,3-11H2,1-2H3
InChIKeySGFGGOFOYFLFPY-UHFFFAOYSA-N
XLogP2.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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
1-({5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylpiperazine
CID 72876363
1-{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylpiperazine
CID 72918299
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416
(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-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134792876
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
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 161413623) is 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)CN1CCC(c2nnc3n2CCCC3)CC1.
What is the InChIKey of 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SGFGGOFOYFLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)11-18-9-6-13(7-10-18)15-17-16-14-5-3-4-8-19(14)15/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(2-methylpropyl)piperidin-4-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 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).