2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C14H16N4O — CID 103218011

IUPAC2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCc1cccnc1Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C14H16N4O/c1-10-4-2-6-16-13(10)9-18-14(19)8-12-11(17-18)5-3-7-15-12/h2,4,6,8,15H,3,5,7,9H2,1H3
InChIKeyZQQOMRQJCPCUCN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.35
Rot. Bonds2

About 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103218011) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103218011
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCc1cccnc1Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C14H16N4O/c1-10-4-2-6-16-13(10)9-18-14(19)8-12-11(17-18)5-3-7-15-12/h2,4,6,8,15H,3,5,7,9H2,1H3
InChIKeyZQQOMRQJCPCUCN-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103218011) is 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is Cc1cccnc1Cn1nc2c(cc1=O)NCCC2.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is ZQQOMRQJCPCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-4-2-6-16-13(10)9-18-14(19)8-12-11(17-18)5-3-7-15-12/h2,4,6,8,15H,3,5,7,9H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 256.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103218011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).