7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H15N3O — CID 166718693

IUPAC7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)c1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-3-4-8(2)9-5-6-14-10(7-9)12-13-11(14)15/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyQPOJMYHQQABCFH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds3

About 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 166718693) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID166718693
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)c1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-3-4-8(2)9-5-6-14-10(7-9)12-13-11(14)15/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyQPOJMYHQQABCFH-UHFFFAOYSA-N
XLogP1.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 166718693) is 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCC(C)c1ccn2c(=O)[nH]nc2c1.
What is the InChIKey of 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QPOJMYHQQABCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-8(2)9-5-6-14-10(7-9)12-13-11(14)15/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 166718693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).