3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C7H9N3 — CID 59451901

IUPAC3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC=C2
InChIInChI=1S/C7H9N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2,4H,3,5H2,1H3
InChIKeyQJKSREHCKJSZQL-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.00
Rot. Bonds

About 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine

3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 59451901) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID59451901
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCC=C2
InChIInChI=1S/C7H9N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2,4H,3,5H2,1H3
InChIKeyQJKSREHCKJSZQL-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 175695649
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987
8-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 69916467
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-4-[(2Z)-hexa-2,5-dienyl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,2,4-triazole
CID 90305220
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 59451901) is 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2n1CCC=C2.
What is the InChIKey of 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QJKSREHCKJSZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2,4H,3,5H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 135.17 g/mol, XLogP of 1.00, 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-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 59451901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).