1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile

C11H15ClN6O — CID 71727499

IUPAC1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCONc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H15ClN6O/c1-19-18-10-15-8(12)14-9(16-10)17-11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyYJWVKCOSHVINMZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.14
Rot. Bonds4

About 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile

1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727499) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727499
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCONc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H15ClN6O/c1-19-18-10-15-8(12)14-9(16-10)17-11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyYJWVKCOSHVINMZ-UHFFFAOYSA-N
XLogP2.14
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727398
1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727501
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
CID 71727502
1-[[4-Methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727505
1-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727608
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
CID 71727403
4-chloro-6-methoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62858345
4,6-dichloro-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870276
6-methoxy-2-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80818618
6-chloro-2-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80819943
1-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
CID 110172762

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727499) is 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CONc1nc(Cl)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is YJWVKCOSHVINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-19-18-10-15-8(12)14-9(16-10)17-11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 282.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).