2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine

C11H14N4 — CID 100610919

IUPAC2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2cnc(C)c2C)cn1
InChIInChI=1S/C11H14N4/c1-8-4-13-11(5-12-8)6-15-7-14-9(2)10(15)3/h4-5,7H,6H2,1-3H3
InChIKeyHMVNFIYASKCQEY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds2

About 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine

2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine (PubChem CID 100610919) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine
PubChem CID100610919
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2cnc(C)c2C)cn1
InChIInChI=1S/C11H14N4/c1-8-4-13-11(5-12-8)6-15-7-14-9(2)10(15)3/h4-5,7H,6H2,1-3H3
InChIKeyHMVNFIYASKCQEY-UHFFFAOYSA-N
XLogP1.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine?
The IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine (CID 100610919) is 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine?
The canonical SMILES for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine is Cc1cnc(Cn2cnc(C)c2C)cn1.
What is the InChIKey of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine?
The InChIKey is HMVNFIYASKCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-4-13-11(5-12-8)6-15-7-14-9(2)10(15)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine?
2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine has a molecular weight of 202.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylpyrazine is sourced from PubChem (CID 100610919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).