N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide

C24H28FN7O — CID 134107936

IUPACN'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide
SMILESO=C(NNc1nc(NCc2ccccc2F)nc(NCC2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C24H28FN7O/c25-20-14-8-7-13-19(20)16-27-23-28-22(26-15-17-9-3-1-4-10-17)29-24(30-23)32-31-21(33)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,31,33)(H3,26,27,28,29,30,32)
InChIKeyDGTNYLIDZYXNKJ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.37
Rot. Bonds9

About N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide

N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide (PubChem CID 134107936) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide
PubChem CID134107936
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC NameN'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide
SMILESO=C(NNc1nc(NCc2ccccc2F)nc(NCC2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C24H28FN7O/c25-20-14-8-7-13-19(20)16-27-23-28-22(26-15-17-9-3-1-4-10-17)29-24(30-23)32-31-21(33)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,31,33)(H3,26,27,28,29,30,32)
InChIKeyDGTNYLIDZYXNKJ-UHFFFAOYSA-N
XLogP4.37
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23928795
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362
N-[2-[2-[2-[[6-(cyclohexylmethylamino)-4-[cyclohexyl(methyl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23873032
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
2-[4-[[4-(cyclohexylmethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 167433474
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
N-[2-[2-[2-[[4-[(2-fluorophenyl)methylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23984555
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 139676139

Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide?
The IUPAC name of N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide (CID 134107936) is N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide.
What is the SMILES notation for N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide?
The canonical SMILES for N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide is O=C(NNc1nc(NCc2ccccc2F)nc(NCC2CCCCC2)n1)c1ccccc1.
What is the InChIKey of N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide?
The InChIKey is DGTNYLIDZYXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c25-20-14-8-7-13-19(20)16-27-23-28-22(26-15-17-9-3-1-4-10-17)29-24(30-23)32-31-21(33)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,31,33)(H3,26,27,28,29,30,32).
What are the key properties of N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide?
N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide has a molecular weight of 449.53 g/mol, XLogP of 4.37, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide is sourced from PubChem (CID 134107936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).