N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine

C9H10Cl2N4O — CID 87532624

IUPACN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine
SMILESClc1nc(Cl)nc(ON=C2CCCCC2)n1
InChIInChI=1S/C9H10Cl2N4O/c10-7-12-8(11)14-9(13-7)16-15-6-4-2-1-3-5-6/h1-5H2
InChIKeyUDTVVDJATAKQDQ-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.88
Rot. Bonds2

About N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine

N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine (PubChem CID 87532624) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine.

Molecular Properties

Compound NameN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine
PubChem CID87532624
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC NameN-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine
SMILESClc1nc(Cl)nc(ON=C2CCCCC2)n1
InChIInChI=1S/C9H10Cl2N4O/c10-7-12-8(11)14-9(13-7)16-15-6-4-2-1-3-5-6/h1-5H2
InChIKeyUDTVVDJATAKQDQ-UHFFFAOYSA-N
XLogP2.88
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine?
The IUPAC name of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine (CID 87532624) is N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine.
What is the SMILES notation for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine?
The canonical SMILES for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine is Clc1nc(Cl)nc(ON=C2CCCCC2)n1.
What is the InChIKey of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine?
The InChIKey is UDTVVDJATAKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c10-7-12-8(11)14-9(13-7)16-15-6-4-2-1-3-5-6/h1-5H2.
What are the key properties of N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine?
N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine has a molecular weight of 261.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclohexanimine is sourced from PubChem (CID 87532624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).