N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine

C15H26N6 — CID 112942382

IUPACN-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C15H26N6/c1-2-20-8-10-21(11-9-20)14-12-16-19-15(18-14)17-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyMFHIOBDFASQIJA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.76
Rot. Bonds4

About N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine

N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112942382) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112942382
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC NameN-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C15H26N6/c1-2-20-8-10-21(11-9-20)14-12-16-19-15(18-14)17-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyMFHIOBDFASQIJA-UHFFFAOYSA-N
XLogP1.76
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112942384
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112941659
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112942438
ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149
3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112941679
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112942609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112942382) is N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is MFHIOBDFASQIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-20-8-10-21(11-9-20)14-12-16-19-15(18-14)17-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).