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

C12H18N6S — CID 71727506

IUPAC1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(SC)n1
InChIInChI=1S/C12H18N6S/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)
InChIKeyCEIVKBVSJHEXIU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.27
Rot. Bonds4

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

1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727506) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727506
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(SC)n1
InChIInChI=1S/C12H18N6S/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)
InChIKeyCEIVKBVSJHEXIU-UHFFFAOYSA-N
XLogP2.27
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile with MolForge

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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-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-[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727609
1-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727612
1-[[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507
2-N-tert-butyl-4-N-cyclohexyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 11300912
4-[[4-(Tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]butanenitrile
CID 142681371
2-Cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile
CID 154322119
2-Cyclopropyl-2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]pentanenitrile
CID 177741499
1-[(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
CID 110172634

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727506) is 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2(C#N)CCCCC2)nc(SC)n1.
What is the InChIKey of 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is CEIVKBVSJHEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/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-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 278.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).