5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine

C13H23N5 — CID 105363338

IUPAC5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine
SMILESCCc1nnc(N2CCNCC2CC)nc1CC
InChIInChI=1S/C13H23N5/c1-4-10-9-14-7-8-18(10)13-15-11(5-2)12(6-3)16-17-13/h10,14H,4-9H2,1-3H3
InChIKeyZEGQDSSHCCZLBW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.18
Rot. Bonds4

About 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine

5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 105363338) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine
PubChem CID105363338
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine
SMILESCCc1nnc(N2CCNCC2CC)nc1CC
InChIInChI=1S/C13H23N5/c1-4-10-9-14-7-8-18(10)13-15-11(5-2)12(6-3)16-17-13/h10,14H,4-9H2,1-3H3
InChIKeyZEGQDSSHCCZLBW-UHFFFAOYSA-N
XLogP1.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
CID 105363029
[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpiperidin-2-yl]methanamine
CID 103442331
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
CID 124872866
4-ethyl-6-(2-ethylpiperazin-1-yl)pyrimidine
CID 63600778
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
CID 79044286
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
CID 82670184
3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
CID 105363434
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine (CID 105363338) is 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine is CCc1nnc(N2CCNCC2CC)nc1CC.
What is the InChIKey of 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is ZEGQDSSHCCZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-10-9-14-7-8-18(10)13-15-11(5-2)12(6-3)16-17-13/h10,14H,4-9H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine?
5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 249.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 105363338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).