(6-methylpyridazin-3-yl)-phenylmethanone

C12H10N2O — CID 86197624

IUPAC(6-methylpyridazin-3-yl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C12H10N2O/c1-9-7-8-11(14-13-9)12(15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMPOLPIMVVZASRE-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds2

About (6-methylpyridazin-3-yl)-phenylmethanone

(6-methylpyridazin-3-yl)-phenylmethanone (PubChem CID 86197624) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (6-methylpyridazin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methylpyridazin-3-yl)-phenylmethanone
PubChem CID86197624
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(6-methylpyridazin-3-yl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C12H10N2O/c1-9-7-8-11(14-13-9)12(15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMPOLPIMVVZASRE-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methylpyridazin-3-yl)-phenylmethanone?
The IUPAC name of (6-methylpyridazin-3-yl)-phenylmethanone (CID 86197624) is (6-methylpyridazin-3-yl)-phenylmethanone.
What is the SMILES notation for (6-methylpyridazin-3-yl)-phenylmethanone?
The canonical SMILES for (6-methylpyridazin-3-yl)-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)nn1.
What is the InChIKey of (6-methylpyridazin-3-yl)-phenylmethanone?
The InChIKey is MPOLPIMVVZASRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-7-8-11(14-13-9)12(15)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (6-methylpyridazin-3-yl)-phenylmethanone?
(6-methylpyridazin-3-yl)-phenylmethanone has a molecular weight of 198.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyridazin-3-yl)-phenylmethanone is sourced from PubChem (CID 86197624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).