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

C16H25N7 — CID 71727610

IUPAC1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2CCCC2)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C16H25N7/c1-18-13-20-14(19-12-7-3-4-8-12)22-15(21-13)23-16(11-17)9-5-2-6-10-16/h12H,2-10H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyONMLSSMIESOHFN-UHFFFAOYSA-N
MW315.43 g/mol
LogP2.91
Rot. Bonds5

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

1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727610) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727610
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2CCCC2)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C16H25N7/c1-18-13-20-14(19-12-7-3-4-8-12)22-15(21-13)23-16(11-17)9-5-2-6-10-16/h12H,2-10H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyONMLSSMIESOHFN-UHFFFAOYSA-N
XLogP2.91
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(cyclopentylamino)-6-(methylamino)-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]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-(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-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-(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
2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 21896984

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727610) is 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2CCCC2)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is ONMLSSMIESOHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-18-13-20-14(19-12-7-3-4-8-12)22-15(21-13)23-16(11-17)9-5-2-6-10-16/h12H,2-10H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 315.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).