8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C9H13N3 — CID 59299796

IUPAC8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)=C1CCCn2cnnc21
InChIInChI=1S/C9H13N3/c1-7(2)8-4-3-5-12-6-10-11-9(8)12/h6H,3-5H2,1-2H3
InChIKeySRNABFVBCMOZBN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.87
Rot. Bonds

About 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 59299796) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID59299796
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)=C1CCCn2cnnc21
InChIInChI=1S/C9H13N3/c1-7(2)8-4-3-5-12-6-10-11-9(8)12/h6H,3-5H2,1-2H3
InChIKeySRNABFVBCMOZBN-UHFFFAOYSA-N
XLogP1.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 59299796) is 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC(C)=C1CCCn2cnnc21.
What is the InChIKey of 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SRNABFVBCMOZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)8-4-3-5-12-6-10-11-9(8)12/h6H,3-5H2,1-2H3.
What are the key properties of 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylidene-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 59299796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).