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

C12H19N3 — CID 136580115

IUPAC3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCn2c(nnc2CC2CCCC2)C1
InChIInChI=1S/C12H19N3/c1-2-6-10(5-1)9-12-14-13-11-7-3-4-8-15(11)12/h10H,1-9H2
InChIKeyMZSCQSISFMWRBS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds2

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

3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136580115) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136580115
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCn2c(nnc2CC2CCCC2)C1
InChIInChI=1S/C12H19N3/c1-2-6-10(5-1)9-12-14-13-11-7-3-4-8-15(11)12/h10H,1-9H2
InChIKeyMZSCQSISFMWRBS-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 136580115) is 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is C1CCn2c(nnc2CC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MZSCQSISFMWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-6-10(5-1)9-12-14-13-11-7-3-4-8-15(11)12/h10H,1-9H2.
What are the key properties of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 205.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136580115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).