1-methyl-4-(3-methylimidazol-4-yl)triazole

C7H9N5 — CID 89282957

IUPAC1-methyl-4-(3-methylimidazol-4-yl)triazole
SMILESCn1cc(-c2cncn2C)nn1
InChIInChI=1S/C7H9N5/c1-11-5-8-3-7(11)6-4-12(2)10-9-6/h3-5H,1-2H3
InChIKeyOZFKFEIDZUZVCM-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.22
Rot. Bonds1

About 1-methyl-4-(3-methylimidazol-4-yl)triazole

1-methyl-4-(3-methylimidazol-4-yl)triazole (PubChem CID 89282957) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-methyl-4-(3-methylimidazol-4-yl)triazole.

Molecular Properties

Compound Name1-methyl-4-(3-methylimidazol-4-yl)triazole
PubChem CID89282957
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-methyl-4-(3-methylimidazol-4-yl)triazole
SMILESCn1cc(-c2cncn2C)nn1
InChIInChI=1S/C7H9N5/c1-11-5-8-3-7(11)6-4-12(2)10-9-6/h3-5H,1-2H3
InChIKeyOZFKFEIDZUZVCM-UHFFFAOYSA-N
XLogP0.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylimidazol-4-yl)triazole?
The IUPAC name of 1-methyl-4-(3-methylimidazol-4-yl)triazole (CID 89282957) is 1-methyl-4-(3-methylimidazol-4-yl)triazole.
What is the SMILES notation for 1-methyl-4-(3-methylimidazol-4-yl)triazole?
The canonical SMILES for 1-methyl-4-(3-methylimidazol-4-yl)triazole is Cn1cc(-c2cncn2C)nn1.
What is the InChIKey of 1-methyl-4-(3-methylimidazol-4-yl)triazole?
The InChIKey is OZFKFEIDZUZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-11-5-8-3-7(11)6-4-12(2)10-9-6/h3-5H,1-2H3.
What are the key properties of 1-methyl-4-(3-methylimidazol-4-yl)triazole?
1-methyl-4-(3-methylimidazol-4-yl)triazole has a molecular weight of 163.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylimidazol-4-yl)triazole is sourced from PubChem (CID 89282957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).