(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

C15H14F2N4O — CID 56778302

IUPAC(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H14F2N4O/c1-18-14-6-10-8-21(3-2-13(10)19-20-14)15(22)9-4-11(16)7-12(17)5-9/h4-7H,2-3,8H2,1H3,(H,18,20)
InChIKeySCDADKAIGJCAHE-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.00
Rot. Bonds2

About (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (PubChem CID 56778302) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
PubChem CID56778302
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H14F2N4O/c1-18-14-6-10-8-21(3-2-13(10)19-20-14)15(22)9-4-11(16)7-12(17)5-9/h4-7H,2-3,8H2,1H3,(H,18,20)
InChIKeySCDADKAIGJCAHE-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (CID 56778302) is (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is CNc1cc2c(nn1)CCN(C(=O)c1cc(F)cc(F)c1)C2.
What is the InChIKey of (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The InChIKey is SCDADKAIGJCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c1-18-14-6-10-8-21(3-2-13(10)19-20-14)15(22)9-4-11(16)7-12(17)5-9/h4-7H,2-3,8H2,1H3,(H,18,20).
What are the key properties of (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
(3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone has a molecular weight of 304.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is sourced from PubChem (CID 56778302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).