N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine

C17H24ClN7O2 — CID 134108440

IUPACN-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NCCCN2CCOCC2)nc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H24ClN7O2/c18-14-4-1-3-13(11-14)12-20-16-21-15(22-17(23-16)24-26)19-5-2-6-25-7-9-27-10-8-25/h1,3-4,11,26H,2,5-10,12H2,(H3,19,20,21,22,23,24)
InChIKeyDOYAMEZSPVZTTQ-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.07
Rot. Bonds9

About N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 134108440) has the molecular formula C17H24ClN7O2 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID134108440
Molecular FormulaC17H24ClN7O2
Molecular Weight393.88 g/mol
Exact Mass393.17
IUPAC NameN-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(NCCCN2CCOCC2)nc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H24ClN7O2/c18-14-4-1-3-13(11-14)12-20-16-21-15(22-17(23-16)24-26)19-5-2-6-25-7-9-27-10-8-25/h1,3-4,11,26H,2,5-10,12H2,(H3,19,20,21,22,23,24)
InChIKeyDOYAMEZSPVZTTQ-UHFFFAOYSA-N
XLogP2.07
TPSA107.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 20959289
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
CID 663234
5-(3-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68862429
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
5-N-benzyl-6-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 29000300
6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10785410

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 134108440) is N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(NCCCN2CCOCC2)nc(NCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is DOYAMEZSPVZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7O2/c18-14-4-1-3-13(11-14)12-20-16-21-15(22-17(23-16)24-26)19-5-2-6-25-7-9-27-10-8-25/h1,3-4,11,26H,2,5-10,12H2,(H3,19,20,21,22,23,24).
What are the key properties of N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 393.88 g/mol, XLogP of 2.07, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 134108440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).