3,4,5-trimethyl-6-pyridin-2-ylpyridazine

C12H13N3 — CID 152648665

IUPAC3,4,5-trimethyl-6-pyridin-2-ylpyridazine
SMILESCc1nnc(-c2ccccn2)c(C)c1C
InChIInChI=1S/C12H13N3/c1-8-9(2)12(15-14-10(8)3)11-6-4-5-7-13-11/h4-7H,1-3H3
InChIKeyZHBYMWQVIODFSV-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.46
Rot. Bonds1

About 3,4,5-trimethyl-6-pyridin-2-ylpyridazine

3,4,5-trimethyl-6-pyridin-2-ylpyridazine (PubChem CID 152648665) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3,4,5-trimethyl-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3,4,5-trimethyl-6-pyridin-2-ylpyridazine
PubChem CID152648665
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3,4,5-trimethyl-6-pyridin-2-ylpyridazine
SMILESCc1nnc(-c2ccccn2)c(C)c1C
InChIInChI=1S/C12H13N3/c1-8-9(2)12(15-14-10(8)3)11-6-4-5-7-13-11/h4-7H,1-3H3
InChIKeyZHBYMWQVIODFSV-UHFFFAOYSA-N
XLogP2.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-6-pyridin-2-ylpyridazine?
The IUPAC name of 3,4,5-trimethyl-6-pyridin-2-ylpyridazine (CID 152648665) is 3,4,5-trimethyl-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3,4,5-trimethyl-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3,4,5-trimethyl-6-pyridin-2-ylpyridazine is Cc1nnc(-c2ccccn2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-6-pyridin-2-ylpyridazine?
The InChIKey is ZHBYMWQVIODFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-8-9(2)12(15-14-10(8)3)11-6-4-5-7-13-11/h4-7H,1-3H3.
What are the key properties of 3,4,5-trimethyl-6-pyridin-2-ylpyridazine?
3,4,5-trimethyl-6-pyridin-2-ylpyridazine has a molecular weight of 199.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 152648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).