4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile

C14H21N7 — CID 11471738

IUPAC4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
InChIKeyZBLLHXCRPWKVCY-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.90
Rot. Bonds3

About 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile

4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 11471738) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID11471738
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
InChIKeyZBLLHXCRPWKVCY-UHFFFAOYSA-N
XLogP0.90
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(Ethylamino)-4-piperidyl-1,3,5-triazine-2-carbonitrile
CID 672104
[4-(Cyclohexylamino)-6-piperazin-4-ium-1-yl-1,3,5-triazin-2-yl]methylazanium
CID 72200123
N-Cyclohexyl-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 10683888
2,4-Difluoro-6-piperidin-2-yl-1,3,5-triazine
CID 54389752
Amino-[4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazin-2-yl]methanethiol
CID 44631848
4-(Cyclohexylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 11173697
2,4-Dichloro-6-piperidin-2-yl-1,3,5-triazine
CID 18522480
N-cyclohexyl-4,6-dimethyl-1,3,5-triazin-2-amine
CID 54131205
2-Methyl-4,6-bis(3-methylpiperazin-1-yl)-1,3,5-triazine
CID 58012607
N-cyclohexyl-4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58176234
N-cyclohexyl-4,6-dimethyl-N-[2-(3,3,5,5-tetramethylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
CID 58788047
4-(Cyclohexylamino)-6-(2-methylpiperazin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 69714946

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile (CID 11471738) is 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(NC2CCCCC2)nc(N2CCNCC2)n1.
What is the InChIKey of 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is ZBLLHXCRPWKVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20).
What are the key properties of 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile?
4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 11471738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).