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

C7H11N3 — CID 56972765

IUPAC3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCCC2
InChIInChI=1S/C7H11N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2-5H2,1H3
InChIKeyHGRDUWBMQIWTSB-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.92
Rot. Bonds

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

3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 56972765) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID56972765
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCCC2
InChIInChI=1S/C7H11N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2-5H2,1H3
InChIKeyHGRDUWBMQIWTSB-UHFFFAOYSA-N
XLogP0.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 56972765) is 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2n1CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HGRDUWBMQIWTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2-5H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 137.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 56972765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).