N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide

C28H28ClN7O — CID 165417014

IUPACN'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNc1nc(Cl)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H28ClN7O/c29-26-30-27(34-33-24(37)20-21-10-4-1-5-11-21)32-28(31-26)36-18-16-35(17-19-36)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2,(H,33,37)(H,30,31,32,34)
InChIKeyZRMNSJKPWRJLTK-UHFFFAOYSA-N
MW514.03 g/mol
LogP4.12
Rot. Bonds8

About N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide

N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide (PubChem CID 165417014) has the molecular formula C28H28ClN7O and a molecular weight of 514.03 g/mol. Its IUPAC name is N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide
PubChem CID165417014
Molecular FormulaC28H28ClN7O
Molecular Weight514.03 g/mol
Exact Mass513.20
IUPAC NameN'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNc1nc(Cl)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H28ClN7O/c29-26-30-27(34-33-24(37)20-21-10-4-1-5-11-21)32-28(31-26)36-18-16-35(17-19-36)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2,(H,33,37)(H,30,31,32,34)
InChIKeyZRMNSJKPWRJLTK-UHFFFAOYSA-N
XLogP4.12
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide with MolForge

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Related Compounds

N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-4-methoxybenzohydrazide
CID 165416976
4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598299
3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
CID 5112014
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-(4-benzhydrylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 71690759
N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide
CID 139635234
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
[2-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-(4-benzylpiperazin-1-yl)methanone
CID 46055800
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
2-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]acetic acid
CID 169450832

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide (CID 165417014) is N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide is O=C(Cc1ccccc1)NNc1nc(Cl)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide?
The InChIKey is ZRMNSJKPWRJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN7O/c29-26-30-27(34-33-24(37)20-21-10-4-1-5-11-21)32-28(31-26)36-18-16-35(17-19-36)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2,(H,33,37)(H,30,31,32,34).
What are the key properties of N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide?
N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide has a molecular weight of 514.03 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 165417014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).