1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine

C12H18N2 — CID 59371108

IUPAC1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
SMILESCC1=CC=C(N2C=CN(C)CC2)CC1
InChIInChI=1S/C12H18N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyKCDOLWIVAICDJG-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.33
Rot. Bonds1

About 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine

1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine (PubChem CID 59371108) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
PubChem CID59371108
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
SMILESCC1=CC=C(N2C=CN(C)CC2)CC1
InChIInChI=1S/C12H18N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyKCDOLWIVAICDJG-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine?
The IUPAC name of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine (CID 59371108) is 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine is CC1=CC=C(N2C=CN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine?
The InChIKey is KCDOLWIVAICDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine?
1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine has a molecular weight of 190.29 g/mol, XLogP of 2.33, 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)-2,3-dihydropyrazine is sourced from PubChem (CID 59371108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).