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

C12H18N6O — CID 71727505

IUPAC1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H18N6O/c1-14-9-15-10(17-11(16-9)19-2)18-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNUMTXTPCPDSVTH-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.56
Rot. Bonds4

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

1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727505) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727505
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H18N6O/c1-14-9-15-10(17-11(16-9)19-2)18-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNUMTXTPCPDSVTH-UHFFFAOYSA-N
XLogP1.56
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727505) is 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2(C#N)CCCCC2)nc(OC)n1.
What is the InChIKey of 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is NUMTXTPCPDSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-14-9-15-10(17-11(16-9)19-2)18-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).