1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine

C12H16N2 — CID 59371112

IUPAC1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine
SMILESCC1=CC=C(N2C=CN(C)C=C2)CC1
InChIInChI=1S/C12H16N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7-10H,4,6H2,1-2H3
InChIKeyQZAZBIBLHLCVQP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.80
Rot. Bonds1

About 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine

1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine (PubChem CID 59371112) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine
PubChem CID59371112
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine
SMILESCC1=CC=C(N2C=CN(C)C=C2)CC1
InChIInChI=1S/C12H16N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7-10H,4,6H2,1-2H3
InChIKeyQZAZBIBLHLCVQP-UHFFFAOYSA-N
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine 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 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine?
The IUPAC name of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine (CID 59371112) is 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine is CC1=CC=C(N2C=CN(C)C=C2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine?
The InChIKey is QZAZBIBLHLCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine?
1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine has a molecular weight of 188.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)pyrazine is sourced from PubChem (CID 59371112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).