3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one

C11H13N5O — CID 155524572

IUPAC3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one
SMILESC/C(=C/n1cc(C)cc(C)c1=O)c1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-7-4-8(2)11(17)16(5-7)6-9(3)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15)/b9-6-
InChIKeyOXCJJTWPUHOHPP-TWGQIWQCSA-N
MW231.26 g/mol
LogP1.00
Rot. Bonds2

About 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one

3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one (PubChem CID 155524572) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one
PubChem CID155524572
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one
SMILESC/C(=C/n1cc(C)cc(C)c1=O)c1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-7-4-8(2)11(17)16(5-7)6-9(3)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15)/b9-6-
InChIKeyOXCJJTWPUHOHPP-TWGQIWQCSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one?
The IUPAC name of 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one (CID 155524572) is 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one?
The canonical SMILES for 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one is C/C(=C/n1cc(C)cc(C)c1=O)c1nn[nH]n1.
What is the InChIKey of 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one?
The InChIKey is OXCJJTWPUHOHPP-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-8(2)11(17)16(5-7)6-9(3)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15)/b9-6-.
What are the key properties of 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one?
3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one has a molecular weight of 231.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 155524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).