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

C10H13ClN6 — CID 71727403

IUPAC1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2nc(N)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H13ClN6/c11-7-14-8(13)16-9(15-7)17-10(6-12)4-2-1-3-5-10/h1-5H2,(H3,13,14,15,16,17)
InChIKeySFEDTPHGUUCUHY-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.75
Rot. Bonds2

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

1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 71727403) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID71727403
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1(Nc2nc(N)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H13ClN6/c11-7-14-8(13)16-9(15-7)17-10(6-12)4-2-1-3-5-10/h1-5H2,(H3,13,14,15,16,17)
InChIKeySFEDTPHGUUCUHY-UHFFFAOYSA-N
XLogP1.75
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.75
H-Bond Donors ≤ 52
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-Amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
CID 71727502
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-[[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)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (CID 71727403) is 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile is N#CC1(Nc2nc(N)nc(Cl)n2)CCCCC1.
What is the InChIKey of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is SFEDTPHGUUCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c11-7-14-8(13)16-9(15-7)17-10(6-12)4-2-1-3-5-10/h1-5H2,(H3,13,14,15,16,17).
What are the key properties of 1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 252.71 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 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)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).