5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one

C8H8N2O — CID 122545021

IUPAC5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one
SMILESCC#Cc1[nH]c(=O)cnc1C
InChIInChI=1S/C8H8N2O/c1-3-4-7-6(2)9-5-8(11)10-7/h5H,1-2H3,(H,10,11)
InChIKeyMGHYXPNIXMJISK-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.45
Rot. Bonds

About 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one

5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one (PubChem CID 122545021) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one
PubChem CID122545021
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one
SMILESCC#Cc1[nH]c(=O)cnc1C
InChIInChI=1S/C8H8N2O/c1-3-4-7-6(2)9-5-8(11)10-7/h5H,1-2H3,(H,10,11)
InChIKeyMGHYXPNIXMJISK-UHFFFAOYSA-N
XLogP0.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-methyl-6-prop-1-ynyl-1H-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 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one?
The IUPAC name of 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one (CID 122545021) is 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one?
The canonical SMILES for 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one is CC#Cc1[nH]c(=O)cnc1C.
What is the InChIKey of 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one?
The InChIKey is MGHYXPNIXMJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-3-4-7-6(2)9-5-8(11)10-7/h5H,1-2H3,(H,10,11).
What are the key properties of 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one?
5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-prop-1-ynyl-1H-pyrazin-2-one is sourced from PubChem (CID 122545021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).