4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride

C9H11ClN4OS — CID 22757918

IUPAC4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
SMILESCCc1nnc(-c2cccs2)c(=O)n1N.Cl
InChIInChI=1S/C9H10N4OS.ClH/c1-2-7-11-12-8(9(14)13(7)10)6-4-3-5-15-6;/h3-5H,2,10H2,1H3;1H
InChIKeyJYSOZEGWNDIIKF-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.06
Rot. Bonds2

About 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride

4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride (PubChem CID 22757918) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
PubChem CID22757918
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC Name4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
SMILESCCc1nnc(-c2cccs2)c(=O)n1N.Cl
InChIInChI=1S/C9H10N4OS.ClH/c1-2-7-11-12-8(9(14)13(7)10)6-4-3-5-15-6;/h3-5H,2,10H2,1H3;1H
InChIKeyJYSOZEGWNDIIKF-UHFFFAOYSA-N
XLogP1.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride?
The IUPAC name of 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride (CID 22757918) is 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride is CCc1nnc(-c2cccs2)c(=O)n1N.Cl.
What is the InChIKey of 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is JYSOZEGWNDIIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS.ClH/c1-2-7-11-12-8(9(14)13(7)10)6-4-3-5-15-6;/h3-5H,2,10H2,1H3;1H.
What are the key properties of 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride?
4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 258.73 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride is sourced from PubChem (CID 22757918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).