[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine

C17H18N4 — CID 14902232

IUPAC[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
SMILESCC(C)c1ccc(-c2nnc(NN)c3ccccc23)cc1
InChIInChI=1S/C17H18N4/c1-11(2)12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(19-18)21-20-16/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyYMIYMRBCFREIMF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.71
Rot. Bonds3

About [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine

[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine (PubChem CID 14902232) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
PubChem CID14902232
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
SMILESCC(C)c1ccc(-c2nnc(NN)c3ccccc23)cc1
InChIInChI=1S/C17H18N4/c1-11(2)12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(19-18)21-20-16/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyYMIYMRBCFREIMF-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine
CID 15946075
(6-chloro-4-phenylphthalazin-1-yl)hydrazine
CID 21283331
4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine
CID 123307293
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
3-iodo-4-methyl-1-(4-propan-2-ylphenyl)isoquinoline
CID 88860777
(8-phenylpyrido[2,3-d]pyridazin-5-yl)hydrazine
CID 10490033
(8-phenylpyrido[2,3-d]pyridazin-5-yl)hydrazine;dihydrochloride
CID 22449286
bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate
CID 71587248
5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine
CID 116823301
N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
CID 15295313
N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191458
2-amino-4-(4-propan-2-ylphenyl)phthalazin-1-one;4-(4-propan-2-ylphenyl)-2H-phthalazin-1-one
CID 67216679

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine?
The IUPAC name of [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine (CID 14902232) is [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine?
The canonical SMILES for [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine is CC(C)c1ccc(-c2nnc(NN)c3ccccc23)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine?
The InChIKey is YMIYMRBCFREIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11(2)12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(19-18)21-20-16/h3-11H,18H2,1-2H3,(H,19,21).
What are the key properties of [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine?
[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine is sourced from PubChem (CID 14902232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).