1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine

C21H18N4 — CID 6412969

IUPAC1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
SMILESc1ccc(Cc2nnc(NNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21(25-23-20)24-22-17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,25)
InChIKeyWYKJEYMNZDHHKO-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.66
Rot. Bonds5

About 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine

1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine (PubChem CID 6412969) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine.

Molecular Properties

Compound Name1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
PubChem CID6412969
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
SMILESc1ccc(Cc2nnc(NNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21(25-23-20)24-22-17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,25)
InChIKeyWYKJEYMNZDHHKO-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.66
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

N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 6411531
N'-[4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-yl]-N-phenylethane-1,2-diamine
CID 135268106
4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
CID 11427474
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
1-benzyl-4-(4-phenylpiperidin-1-yl)phthalazine
CID 25066929
N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide
CID 135268489
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
ethyl (2E)-2-[(4-benzylphthalazin-1-yl)hydrazinylidene]propanoate
CID 177490108
N'-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 135268190
2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol
CID 110183908
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methanesulfonic acid
CID 71584923

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine?
The IUPAC name of 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine (CID 6412969) is 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine.
What is the SMILES notation for 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine?
The canonical SMILES for 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine is c1ccc(Cc2nnc(NNc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine?
The InChIKey is WYKJEYMNZDHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21(25-23-20)24-22-17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,25).
What are the key properties of 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine?
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine has a molecular weight of 326.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine is sourced from PubChem (CID 6412969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).