3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

C12H15N5OS — CID 114386666

IUPAC3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2sccc2N)nc1CC
InChIInChI=1S/C12H15N5OS/c1-3-8-9(4-2)16-17-12(14-8)15-11(18)10-7(13)5-6-19-10/h5-6H,3-4,13H2,1-2H3,(H,14,15,17,18)
InChIKeyFXWBVYKTFLKIRR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 114386666) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID114386666
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2sccc2N)nc1CC
InChIInChI=1S/C12H15N5OS/c1-3-8-9(4-2)16-17-12(14-8)15-11(18)10-7(13)5-6-19-10/h5-6H,3-4,13H2,1-2H3,(H,14,15,17,18)
InChIKeyFXWBVYKTFLKIRR-UHFFFAOYSA-N
XLogP1.89
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 114386666) is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is CCc1nnc(NC(=O)c2sccc2N)nc1CC.
What is the InChIKey of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is FXWBVYKTFLKIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-8-9(4-2)16-17-12(14-8)15-11(18)10-7(13)5-6-19-10/h5-6H,3-4,13H2,1-2H3,(H,14,15,17,18).
What are the key properties of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114386666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).