3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one

C10H10N2O — CID 143215639

IUPAC3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one
SMILESCc1nc2c([nH]c1=O)CC=CC=C2
InChIInChI=1S/C10H10N2O/c1-7-10(13)12-9-6-4-2-3-5-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKeyWKSPWPVMIQDHIJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.20
Rot. Bonds

About 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one

3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one (PubChem CID 143215639) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one
PubChem CID143215639
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one
SMILESCc1nc2c([nH]c1=O)CC=CC=C2
InChIInChI=1S/C10H10N2O/c1-7-10(13)12-9-6-4-2-3-5-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKeyWKSPWPVMIQDHIJ-UHFFFAOYSA-N
XLogP1.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-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-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one?
The IUPAC name of 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one (CID 143215639) is 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one.
What is the SMILES notation for 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one?
The canonical SMILES for 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one is Cc1nc2c([nH]c1=O)CC=CC=C2.
What is the InChIKey of 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one?
The InChIKey is WKSPWPVMIQDHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-10(13)12-9-6-4-2-3-5-8(9)11-7/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one?
3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,9-dihydrocyclohepta[b]pyrazin-2-one is sourced from PubChem (CID 143215639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).