3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine

C11H16Cl2N4O — CID 81035967

IUPAC3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCOC2CCCCC2)n1
InChIInChI=1S/C11H16Cl2N4O/c12-9-10(15-11(13)17-16-9)14-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,17)
InChIKeyRUMIXDDYUPPRIQ-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.94
Rot. Bonds5

About 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine (PubChem CID 81035967) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine
PubChem CID81035967
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCOC2CCCCC2)n1
InChIInChI=1S/C11H16Cl2N4O/c12-9-10(15-11(13)17-16-9)14-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,17)
InChIKeyRUMIXDDYUPPRIQ-UHFFFAOYSA-N
XLogP2.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine (CID 81035967) is 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCCOC2CCCCC2)n1.
What is the InChIKey of 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine?
The InChIKey is RUMIXDDYUPPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c12-9-10(15-11(13)17-16-9)14-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine has a molecular weight of 291.18 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-cyclohexyloxyethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).