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

C11H15ClN6 — CID 71727502

IUPAC1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
SMILESCN(c1nc(N)nc(Cl)n1)C1(C#N)CCCCC1
InChIInChI=1S/C11H15ClN6/c1-18(10-16-8(12)15-9(14)17-10)11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17)
InChIKeyICZXRWXYSCCVRN-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.77
Rot. Bonds2

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

1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile (PubChem CID 71727502) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
PubChem CID71727502
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
SMILESCN(c1nc(N)nc(Cl)n1)C1(C#N)CCCCC1
InChIInChI=1S/C11H15ClN6/c1-18(10-16-8(12)15-9(14)17-10)11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17)
InChIKeyICZXRWXYSCCVRN-UHFFFAOYSA-N
XLogP1.77
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]cyclopentane-1-carbonitrile
CID 71727399
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
1-[[4-Chloro-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727499
1-[[4-Chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727500
1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727501
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
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
CID 71727403
2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylheptanenitrile
CID 174443110

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile (CID 71727502) is 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile is CN(c1nc(N)nc(Cl)n1)C1(C#N)CCCCC1.
What is the InChIKey of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile?
The InChIKey is ICZXRWXYSCCVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-18(10-16-8(12)15-9(14)17-10)11(7-13)5-3-2-4-6-11/h2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile?
1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile has a molecular weight of 266.74 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).