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

C12H17ClN6 — CID 71727608

IUPAC1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCCNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H17ClN6/c1-2-15-10-16-9(13)17-11(18-10)19-12(8-14)6-4-3-5-7-12/h2-7H2,1H3,(H2,15,16,17,18,19)
InChIKeyXPUXERKKMTWDJF-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.60
Rot. Bonds4

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

1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727608) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727608
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCCNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H17ClN6/c1-2-15-10-16-9(13)17-11(18-10)19-12(8-14)6-4-3-5-7-12/h2-7H2,1H3,(H2,15,16,17,18,19)
InChIKeyXPUXERKKMTWDJF-UHFFFAOYSA-N
XLogP2.60
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
(2S)-2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutanenitrile
CID 449582
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile
CID 71727397
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
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
6-chloro-2-N-(1-ethynylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727402
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-Amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
CID 71727502

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727608) is 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CCNc1nc(Cl)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is XPUXERKKMTWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-2-15-10-16-9(13)17-11(18-10)19-12(8-14)6-4-3-5-7-12/h2-7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 280.76 g/mol, XLogP of 2.60, 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-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).