2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one

C14H18N4O — CID 162671888

IUPAC2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c2c(nn1-c1nc(C)cc(=O)[nH]1)CCCC2
InChIInChI=1S/C14H18N4O/c1-3-12-10-6-4-5-7-11(10)17-18(12)14-15-9(2)8-13(19)16-14/h8H,3-7H2,1-2H3,(H,15,16,19)
InChIKeySQZWUEVBUUYLLY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.71
Rot. Bonds2

About 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 162671888) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID162671888
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c2c(nn1-c1nc(C)cc(=O)[nH]1)CCCC2
InChIInChI=1S/C14H18N4O/c1-3-12-10-6-4-5-7-11(10)17-18(12)14-15-9(2)8-13(19)16-14/h8H,3-7H2,1-2H3,(H,15,16,19)
InChIKeySQZWUEVBUUYLLY-UHFFFAOYSA-N
XLogP1.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-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 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 162671888) is 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one is CCc1c2c(nn1-c1nc(C)cc(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SQZWUEVBUUYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-12-10-6-4-5-7-11(10)17-18(12)14-15-9(2)8-13(19)16-14/h8H,3-7H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5,6,7-tetrahydroindazol-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162671888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).