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

C11H15ClN6 — CID 71727398

IUPAC1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H15ClN6/c1-14-9-15-8(12)16-10(17-9)18-11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyDSUZHUXAESFEOY-UHFFFAOYSA-N
MW266.74 g/mol
LogP2.21
Rot. Bonds3

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

1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727398) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727398
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H15ClN6/c1-14-9-15-8(12)16-10(17-9)18-11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyDSUZHUXAESFEOY-UHFFFAOYSA-N
XLogP2.21
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727398) is 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is DSUZHUXAESFEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-14-9-15-8(12)16-10(17-9)18-11(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-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 266.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).