N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine

C14H15N3O — CID 174727656

IUPACN-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
SMILESCc1ccccc1CCC(=NO)c1ccnnc1
InChIInChI=1S/C14H15N3O/c1-11-4-2-3-5-12(11)6-7-14(17-18)13-8-9-15-16-10-13/h2-5,8-10,18H,6-7H2,1H3
InChIKeyCFYLGSPJZLPVOH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds4

About N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine

N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine (PubChem CID 174727656) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
PubChem CID174727656
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
SMILESCc1ccccc1CCC(=NO)c1ccnnc1
InChIInChI=1S/C14H15N3O/c1-11-4-2-3-5-12(11)6-7-14(17-18)13-8-9-15-16-10-13/h2-5,8-10,18H,6-7H2,1H3
InChIKeyCFYLGSPJZLPVOH-UHFFFAOYSA-N
XLogP2.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
1,5-bis(2-methylphenyl)pentan-3-one
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N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690466
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
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1-(3-bromobut-3-enyl)-2-methylbenzene
CID 24721733
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N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
CID 88926427
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The IUPAC name of N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine (CID 174727656) is N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine.
What is the SMILES notation for N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The canonical SMILES for N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine is Cc1ccccc1CCC(=NO)c1ccnnc1.
What is the InChIKey of N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
The InChIKey is CFYLGSPJZLPVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-4-2-3-5-12(11)6-7-14(17-18)13-8-9-15-16-10-13/h2-5,8-10,18H,6-7H2,1H3.
What are the key properties of N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine?
N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine is sourced from PubChem (CID 174727656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).