N-(4-butylphthalazin-1-yl)hydroxylamine

C12H15N3O — CID 136951511

IUPACN-(4-butylphthalazin-1-yl)hydroxylamine
SMILESCCCCc1nnc(NO)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-2-3-8-11-9-6-4-5-7-10(9)12(15-16)14-13-11/h4-7,16H,2-3,8H2,1H3,(H,14,15)
InChIKeyORLYXPSOGQJPML-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.77
Rot. Bonds4

About N-(4-butylphthalazin-1-yl)hydroxylamine

N-(4-butylphthalazin-1-yl)hydroxylamine (PubChem CID 136951511) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(4-butylphthalazin-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-butylphthalazin-1-yl)hydroxylamine
PubChem CID136951511
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(4-butylphthalazin-1-yl)hydroxylamine
SMILESCCCCc1nnc(NO)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-2-3-8-11-9-6-4-5-7-10(9)12(15-16)14-13-11/h4-7,16H,2-3,8H2,1H3,(H,14,15)
InChIKeyORLYXPSOGQJPML-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butylcinnoline-4-carbonitrile
CID 11458502
N-butyl-4-methylphthalazin-1-amine
CID 43395112
9,10-dibutylanthracene
CID 605822
2,3-dibutylquinoxaline
CID 14641798
3,4-dibutyl-1-methylisoquinoline
CID 71619287
6-butyl-N,4,5-trimethylpyridazin-3-amine
CID 106659403
3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
(3-butylquinoxalin-2-yl)hydrazine
CID 119088343
6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 106659331
3-pentylquinoxaline-2-carboxamide
CID 141031163
1-dodecylisoquinoline;hydroiodide
CID 173144441

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphthalazin-1-yl)hydroxylamine?
The IUPAC name of N-(4-butylphthalazin-1-yl)hydroxylamine (CID 136951511) is N-(4-butylphthalazin-1-yl)hydroxylamine.
What is the SMILES notation for N-(4-butylphthalazin-1-yl)hydroxylamine?
The canonical SMILES for N-(4-butylphthalazin-1-yl)hydroxylamine is CCCCc1nnc(NO)c2ccccc12.
What is the InChIKey of N-(4-butylphthalazin-1-yl)hydroxylamine?
The InChIKey is ORLYXPSOGQJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-8-11-9-6-4-5-7-10(9)12(15-16)14-13-11/h4-7,16H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-(4-butylphthalazin-1-yl)hydroxylamine?
N-(4-butylphthalazin-1-yl)hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphthalazin-1-yl)hydroxylamine is sourced from PubChem (CID 136951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).