3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine

C11H11N7 — CID 167957721

IUPAC3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine
SMILESCn1ccnc1-c1cn(Cc2cccnn2)nn1
InChIInChI=1S/C11H11N7/c1-17-6-5-12-11(17)10-8-18(16-15-10)7-9-3-2-4-13-14-9/h2-6,8H,7H2,1H3
InChIKeyTUBWMPWMWBIXNW-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.52
Rot. Bonds3

About 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine

3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine (PubChem CID 167957721) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine
PubChem CID167957721
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine
SMILESCn1ccnc1-c1cn(Cc2cccnn2)nn1
InChIInChI=1S/C11H11N7/c1-17-6-5-12-11(17)10-8-18(16-15-10)7-9-3-2-4-13-14-9/h2-6,8H,7H2,1H3
InChIKeyTUBWMPWMWBIXNW-UHFFFAOYSA-N
XLogP0.52
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine 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 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine?
The IUPAC name of 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine (CID 167957721) is 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine?
The canonical SMILES for 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine is Cn1ccnc1-c1cn(Cc2cccnn2)nn1.
What is the InChIKey of 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine?
The InChIKey is TUBWMPWMWBIXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-17-6-5-12-11(17)10-8-18(16-15-10)7-9-3-2-4-13-14-9/h2-6,8H,7H2,1H3.
What are the key properties of 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine?
3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine has a molecular weight of 241.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine is sourced from PubChem (CID 167957721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).