3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one

C12H13N3O — CID 53418846

IUPAC3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one
SMILESCc1cc(Cc2ncccc2C)c(=O)[nH]n1
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-13-11(8)7-10-6-9(2)14-15-12(10)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyMXXHHWYDDNSKPN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.37
Rot. Bonds2

About 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one

3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one (PubChem CID 53418846) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one
PubChem CID53418846
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one
SMILESCc1cc(Cc2ncccc2C)c(=O)[nH]n1
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-13-11(8)7-10-6-9(2)14-15-12(10)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyMXXHHWYDDNSKPN-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one (CID 53418846) is 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one is Cc1cc(Cc2ncccc2C)c(=O)[nH]n1.
What is the InChIKey of 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one?
The InChIKey is MXXHHWYDDNSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-3-5-13-11(8)7-10-6-9(2)14-15-12(10)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one?
3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 53418846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).