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

C15H23N7 — CID 71727613

IUPAC1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H23N7/c1-17-12-18-13(20-14(19-12)22-9-5-6-10-22)21-15(11-16)7-3-2-4-8-15/h2-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyJSWCESCWOFLNEZ-UHFFFAOYSA-N
MW301.40 g/mol
LogP2.15
Rot. Bonds4

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

1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727613) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727613
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H23N7/c1-17-12-18-13(20-14(19-12)22-9-5-6-10-22)21-15(11-16)7-3-2-4-8-15/h2-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyJSWCESCWOFLNEZ-UHFFFAOYSA-N
XLogP2.15
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(methylamino)-6-pyrrolidin-1-yl-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-(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-(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-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 69485014
4-N-(cyclohexylmethyl)-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 145785048
4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62862702

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727613) is 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2(C#N)CCCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is JSWCESCWOFLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-17-12-18-13(20-14(19-12)22-9-5-6-10-22)21-15(11-16)7-3-2-4-8-15/h2-10H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 301.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).