3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine

C17H23N5O — CID 136532493

IUPAC3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine
SMILESCCOc1ccccc1N1CCN(c2nnc(C)c(C)n2)CC1
InChIInChI=1S/C17H23N5O/c1-4-23-16-8-6-5-7-15(16)21-9-11-22(12-10-21)17-18-13(2)14(3)19-20-17/h5-8H,4,9-12H2,1-3H3
InChIKeyPZWSHCPQXMUWOZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.21
Rot. Bonds4

About 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine

3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine (PubChem CID 136532493) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine
PubChem CID136532493
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine
SMILESCCOc1ccccc1N1CCN(c2nnc(C)c(C)n2)CC1
InChIInChI=1S/C17H23N5O/c1-4-23-16-8-6-5-7-15(16)21-9-11-22(12-10-21)17-18-13(2)14(3)19-20-17/h5-8H,4,9-12H2,1-3H3
InChIKeyPZWSHCPQXMUWOZ-UHFFFAOYSA-N
XLogP2.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine (CID 136532493) is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine is CCOc1ccccc1N1CCN(c2nnc(C)c(C)n2)CC1.
What is the InChIKey of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine?
The InChIKey is PZWSHCPQXMUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-23-16-8-6-5-7-15(16)21-9-11-22(12-10-21)17-18-13(2)14(3)19-20-17/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine?
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine has a molecular weight of 313.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 136532493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).