3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine

C12H17N5 — CID 104673238

IUPAC3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
SMILESCc1cc(-c2nncn2CC(C)C)c(C)nn1
InChIInChI=1S/C12H17N5/c1-8(2)6-17-7-13-16-12(17)11-5-9(3)14-15-10(11)4/h5,7-8H,6H2,1-4H3
InChIKeyUDIBDTARIAMZGC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds3

About 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine

3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine (PubChem CID 104673238) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine.

Molecular Properties

Compound Name3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
PubChem CID104673238
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
SMILESCc1cc(-c2nncn2CC(C)C)c(C)nn1
InChIInChI=1S/C12H17N5/c1-8(2)6-17-7-13-16-12(17)11-5-9(3)14-15-10(11)4/h5,7-8H,6H2,1-4H3
InChIKeyUDIBDTARIAMZGC-UHFFFAOYSA-N
XLogP2.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107967389
4-fluoro-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 62711248
3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501
3-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 102885855
3-(3-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113403238
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812997
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine?
The IUPAC name of 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine (CID 104673238) is 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine.
What is the SMILES notation for 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine?
The canonical SMILES for 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine is Cc1cc(-c2nncn2CC(C)C)c(C)nn1.
What is the InChIKey of 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine?
The InChIKey is UDIBDTARIAMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8(2)6-17-7-13-16-12(17)11-5-9(3)14-15-10(11)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine?
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine has a molecular weight of 231.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine is sourced from PubChem (CID 104673238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).