1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine

C14H18N4 — CID 146532072

IUPAC1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCC1=C(N2c3nccnc3N(C)C2C)CCC=C1
InChIInChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13/h4,6,8-9,11H,5,7H2,1-3H3
InChIKeyRXQJJRFMXAZOAF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.70
Rot. Bonds1

About 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine

1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 146532072) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
PubChem CID146532072
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCC1=C(N2c3nccnc3N(C)C2C)CCC=C1
InChIInChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13/h4,6,8-9,11H,5,7H2,1-3H3
InChIKeyRXQJJRFMXAZOAF-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine (CID 146532072) is 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine is CC1=C(N2c3nccnc3N(C)C2C)CCC=C1.
What is the InChIKey of 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is RXQJJRFMXAZOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13/h4,6,8-9,11H,5,7H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 242.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 146532072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).