1-methylimidazole;1-methylpyrrole;1-methyltriazole

C12H18N6 — CID 158255525

IUPAC1-methylimidazole;1-methylpyrrole;1-methyltriazole
SMILESCn1cccc1.Cn1ccnc1.Cn1ccnn1
InChIInChI=1S/C5H7N.C4H6N2.C3H5N3/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-3-2-4-5-6/h2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyGHFUTWFLKHHLQN-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.26
Rot. Bonds

About 1-methylimidazole;1-methylpyrrole;1-methyltriazole

1-methylimidazole;1-methylpyrrole;1-methyltriazole (PubChem CID 158255525) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpyrrole;1-methyltriazole.

Molecular Properties

Compound Name1-methylimidazole;1-methylpyrrole;1-methyltriazole
PubChem CID158255525
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-methylimidazole;1-methylpyrrole;1-methyltriazole
SMILESCn1cccc1.Cn1ccnc1.Cn1ccnn1
InChIInChI=1S/C5H7N.C4H6N2.C3H5N3/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-3-2-4-5-6/h2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyGHFUTWFLKHHLQN-UHFFFAOYSA-N
XLogP1.26
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methylimidazole;1-methylpyrrole;1-methyltriazole 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-methylimidazole;1-methylpyrrole;1-methyltriazole?
The IUPAC name of 1-methylimidazole;1-methylpyrrole;1-methyltriazole (CID 158255525) is 1-methylimidazole;1-methylpyrrole;1-methyltriazole.
What is the SMILES notation for 1-methylimidazole;1-methylpyrrole;1-methyltriazole?
The canonical SMILES for 1-methylimidazole;1-methylpyrrole;1-methyltriazole is Cn1cccc1.Cn1ccnc1.Cn1ccnn1.
What is the InChIKey of 1-methylimidazole;1-methylpyrrole;1-methyltriazole?
The InChIKey is GHFUTWFLKHHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6N2.C3H5N3/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-3-2-4-5-6/h2-5H,1H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 1-methylimidazole;1-methylpyrrole;1-methyltriazole?
1-methylimidazole;1-methylpyrrole;1-methyltriazole has a molecular weight of 246.32 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpyrrole;1-methyltriazole is sourced from PubChem (CID 158255525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).