(5-methylpyridazin-4-yl)-phenylmethanone

C12H10N2O — CID 13409647

IUPAC(5-methylpyridazin-4-yl)-phenylmethanone
SMILESCc1cnncc1C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZPLMUIUJNVUKKA-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.02
Rot. Bonds2

About (5-methylpyridazin-4-yl)-phenylmethanone

(5-methylpyridazin-4-yl)-phenylmethanone (PubChem CID 13409647) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is (5-methylpyridazin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methylpyridazin-4-yl)-phenylmethanone
PubChem CID13409647
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name(5-methylpyridazin-4-yl)-phenylmethanone
SMILESCc1cnncc1C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZPLMUIUJNVUKKA-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 ≤ 500198.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyridazin-4-yl)-phenylmethanone?
The IUPAC name of (5-methylpyridazin-4-yl)-phenylmethanone (CID 13409647) is (5-methylpyridazin-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methylpyridazin-4-yl)-phenylmethanone?
The canonical SMILES for (5-methylpyridazin-4-yl)-phenylmethanone is Cc1cnncc1C(=O)c1ccccc1.
What is the InChIKey of (5-methylpyridazin-4-yl)-phenylmethanone?
The InChIKey is ZPLMUIUJNVUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-7-13-14-8-11(9)12(15)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (5-methylpyridazin-4-yl)-phenylmethanone?
(5-methylpyridazin-4-yl)-phenylmethanone has a molecular weight of 198.23 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 (5-methylpyridazin-4-yl)-phenylmethanone is sourced from PubChem (CID 13409647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).