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

C9H13N3 — CID 140925333

IUPAC3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CCC=C2
InChIInChI=1S/C9H13N3/c1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3,5,7H,4,6H2,1-2H3
InChIKeyAMLAKPXXJOISNU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.82
Rot. Bonds1

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

3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 140925333) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID140925333
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CCC=C2
InChIInChI=1S/C9H13N3/c1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3,5,7H,4,6H2,1-2H3
InChIKeyAMLAKPXXJOISNU-UHFFFAOYSA-N
XLogP1.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
3,4-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 58240266
Iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
CID 58240275
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 140925333) is 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1CCC=C2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AMLAKPXXJOISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 140925333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).