4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile

C12H15N7 — CID 71727504

IUPAC4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
SMILESCNc1nc(C#N)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H15N7/c1-15-10-16-9(7-13)17-11(18-10)19-12(8-14)5-3-2-4-6-12/h2-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyPBUKNJLUWLFHEJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.42
Rot. Bonds3

About 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile

4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 71727504) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID71727504
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
SMILESCNc1nc(C#N)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H15N7/c1-15-10-16-9(7-13)17-11(18-10)19-12(8-14)5-3-2-4-6-12/h2-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyPBUKNJLUWLFHEJ-UHFFFAOYSA-N
XLogP1.42
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-Cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727503
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-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507
4-[(1-Methylcyclohexyl)amino]-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 69715462
4-[(1-Methylcyclohexyl)amino]-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
CID 69723518

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile (CID 71727504) is 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile is CNc1nc(C#N)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is PBUKNJLUWLFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-15-10-16-9(7-13)17-11(18-10)19-12(8-14)5-3-2-4-6-12/h2-6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile?
4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 71727504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).