3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C11H10ClN7O — CID 80663299

IUPAC3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCc1cc(Cl)nc(Cn2nnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C11H10ClN7O/c1-6-3-8(12)15-9(14-6)5-19-11(20)7-4-13-18(2)10(7)16-17-19/h3-4H,5H2,1-2H3
InChIKeyCPESCJYKUOOSPE-UHFFFAOYSA-N
MW291.70 g/mol
LogP0.33
Rot. Bonds2

About 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 80663299) has the molecular formula C11H10ClN7O and a molecular weight of 291.70 g/mol. Its IUPAC name is 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID80663299
Molecular FormulaC11H10ClN7O
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCc1cc(Cl)nc(Cn2nnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C11H10ClN7O/c1-6-3-8(12)15-9(14-6)5-19-11(20)7-4-13-18(2)10(7)16-17-19/h3-4H,5H2,1-2H3
InChIKeyCPESCJYKUOOSPE-UHFFFAOYSA-N
XLogP0.33
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-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-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 80663299) is 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cc1cc(Cl)nc(Cn2nnc3c(cnn3C)c2=O)n1.
What is the InChIKey of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is CPESCJYKUOOSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7O/c1-6-3-8(12)15-9(14-6)5-19-11(20)7-4-13-18(2)10(7)16-17-19/h3-4H,5H2,1-2H3.
What are the key properties of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 291.70 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 80663299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).