3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one

C10H12N4OS — CID 22757892

IUPAC3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
SMILESCCc1nnc(-c2cccs2)c(=O)n1NC
InChIInChI=1S/C10H12N4OS/c1-3-8-12-13-9(7-5-4-6-16-7)10(15)14(8)11-2/h4-6,11H,3H2,1-2H3
InChIKeyCPRYJJAHLIUHEW-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.10
Rot. Bonds3

About 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one

3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one (PubChem CID 22757892) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
PubChem CID22757892
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
SMILESCCc1nnc(-c2cccs2)c(=O)n1NC
InChIInChI=1S/C10H12N4OS/c1-3-8-12-13-9(7-5-4-6-16-7)10(15)14(8)11-2/h4-6,11H,3H2,1-2H3
InChIKeyCPRYJJAHLIUHEW-UHFFFAOYSA-N
XLogP1.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one?
The IUPAC name of 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one (CID 22757892) is 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one?
The canonical SMILES for 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one is CCc1nnc(-c2cccs2)c(=O)n1NC.
What is the InChIKey of 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one?
The InChIKey is CPRYJJAHLIUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-3-8-12-13-9(7-5-4-6-16-7)10(15)14(8)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one?
3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one has a molecular weight of 236.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one is sourced from PubChem (CID 22757892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).