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

C13H17ClN6 — CID 71727500

IUPAC1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2nc(Cl)nc(NC3CC3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6/c14-10-17-11(16-9-4-5-9)19-12(18-10)20-13(8-15)6-2-1-3-7-13/h9H,1-7H2,(H2,16,17,18,19,20)
InChIKeyUVECQYNBKFUHNV-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.74
Rot. Bonds4

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

1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727500) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727500
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2nc(Cl)nc(NC3CC3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6/c14-10-17-11(16-9-4-5-9)19-12(18-10)20-13(8-15)6-2-1-3-7-13/h9H,1-7H2,(H2,16,17,18,19,20)
InChIKeyUVECQYNBKFUHNV-UHFFFAOYSA-N
XLogP2.74
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-chloro-6-(cyclopropylamino)-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-(methylamino)-1,3,5-triazin-2-yl]amino]cycloheptane-1-carbonitrile
CID 71727400
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
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-[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727609
1-[[4-(Cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727610
1-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727612
1-[[4-(Methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727613
1-[[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727500) is 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is N#CC1(Nc2nc(Cl)nc(NC3CC3)n2)CCCCC1.
What is the InChIKey of 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is UVECQYNBKFUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c14-10-17-11(16-9-4-5-9)19-12(18-10)20-13(8-15)6-2-1-3-7-13/h9H,1-7H2,(H2,16,17,18,19,20).
What are the key properties of 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 292.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).