1,3,4-trimethylimidazol-2-imine

C6H11N3 — CID 129281814

IUPAC1,3,4-trimethylimidazol-2-imine
SMILES[H]/N=c1\n(C)cc(C)n1C
InChIInChI=1S/C6H11N3/c1-5-4-8(2)6(7)9(5)3/h4,7H,1-3H3/b7-6+
InChIKeyGCUDPKRUBXGAFE-VOTSOKGWSA-N
MW125.17 g/mol
LogP0.15
Rot. Bonds

About 1,3,4-trimethylimidazol-2-imine

1,3,4-trimethylimidazol-2-imine (PubChem CID 129281814) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,3,4-trimethylimidazol-2-imine.

Molecular Properties

Compound Name1,3,4-trimethylimidazol-2-imine
PubChem CID129281814
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,3,4-trimethylimidazol-2-imine
SMILES[H]/N=c1\n(C)cc(C)n1C
InChIInChI=1S/C6H11N3/c1-5-4-8(2)6(7)9(5)3/h4,7H,1-3H3/b7-6+
InChIKeyGCUDPKRUBXGAFE-VOTSOKGWSA-N
XLogP0.15
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylimidazol-2-imine?
The IUPAC name of 1,3,4-trimethylimidazol-2-imine (CID 129281814) is 1,3,4-trimethylimidazol-2-imine.
What is the SMILES notation for 1,3,4-trimethylimidazol-2-imine?
The canonical SMILES for 1,3,4-trimethylimidazol-2-imine is [H]/N=c1\n(C)cc(C)n1C.
What is the InChIKey of 1,3,4-trimethylimidazol-2-imine?
The InChIKey is GCUDPKRUBXGAFE-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-4-8(2)6(7)9(5)3/h4,7H,1-3H3/b7-6+.
What are the key properties of 1,3,4-trimethylimidazol-2-imine?
1,3,4-trimethylimidazol-2-imine has a molecular weight of 125.17 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylimidazol-2-imine is sourced from PubChem (CID 129281814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).