N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H16ClN7O — CID 791244

IUPACN-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16ClN7O/c14-9-2-1-3-10(8-9)16-11-17-12(20-15)19-13(18-11)21-4-6-22-7-5-21/h1-3,8H,4-7,15H2,(H2,16,17,18,19,20)
InChIKeyHITMLGYDUGHGTJ-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.39
Rot. Bonds4

About N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 791244) has the molecular formula C13H16ClN7O and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID791244
Molecular FormulaC13H16ClN7O
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16ClN7O/c14-9-2-1-3-10(8-9)16-11-17-12(20-15)19-13(18-11)21-4-6-22-7-5-21/h1-3,8H,4-7,15H2,(H2,16,17,18,19,20)
InChIKeyHITMLGYDUGHGTJ-UHFFFAOYSA-N
XLogP1.39
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
2-({4-[(4-Chlorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141864
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
2-({4-[(3-Chlorophenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648020
N-(4-Chloro-phenyl)-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1035343
N-(3,4-dichlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580228
N-(3-chloro-4-fluorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580238
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285968
4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2(1H)-one hydrazone
CID 790037
2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(4-chlorophenyl)hydrazinecarboxamide
CID 2865400

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 791244) is N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is NNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HITMLGYDUGHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7O/c14-9-2-1-3-10(8-9)16-11-17-12(20-15)19-13(18-11)21-4-6-22-7-5-21/h1-3,8H,4-7,15H2,(H2,16,17,18,19,20).
What are the key properties of N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).