(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

C17H18FN5O — CID 54103637

IUPAC(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCC(C)/N=N/c1cc2c(nn1)CCN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C17H18FN5O/c1-11(2)19-21-16-9-12-10-23(8-7-15(12)20-22-16)17(24)13-5-3-4-6-14(13)18/h3-6,9,11H,7-8,10H2,1-2H3/b21-19+
InChIKeyNCFMCXOUVQNGRG-XUTLUUPISA-N
MW327.36 g/mol
LogP3.31
Rot. Bonds3

About (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (PubChem CID 54103637) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
PubChem CID54103637
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCC(C)/N=N/c1cc2c(nn1)CCN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C17H18FN5O/c1-11(2)19-21-16-9-12-10-23(8-7-15(12)20-22-16)17(24)13-5-3-4-6-14(13)18/h3-6,9,11H,7-8,10H2,1-2H3/b21-19+
InChIKeyNCFMCXOUVQNGRG-XUTLUUPISA-N
XLogP3.31
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
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N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
CID 155972347
7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176501214
(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (CID 54103637) is (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is CC(C)/N=N/c1cc2c(nn1)CCN(C(=O)c1ccccc1F)C2.
What is the InChIKey of (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The InChIKey is NCFMCXOUVQNGRG-XUTLUUPISA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11(2)19-21-16-9-12-10-23(8-7-15(12)20-22-16)17(24)13-5-3-4-6-14(13)18/h3-6,9,11H,7-8,10H2,1-2H3/b21-19+.
What are the key properties of (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone has a molecular weight of 327.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is sourced from PubChem (CID 54103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).