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

C13H17N5OS — CID 114386648

IUPAC4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(N)c(C)s2)nc1CC
InChIInChI=1S/C13H17N5OS/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-6-8(14)7(3)20-11/h6H,4-5,14H2,1-3H3,(H,15,16,18,19)
InChIKeyVNGKUWURRXRXSL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.20
Rot. Bonds4

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

4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide (PubChem CID 114386648) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
PubChem CID114386648
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(N)c(C)s2)nc1CC
InChIInChI=1S/C13H17N5OS/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-6-8(14)7(3)20-11/h6H,4-5,14H2,1-3H3,(H,15,16,18,19)
InChIKeyVNGKUWURRXRXSL-UHFFFAOYSA-N
XLogP2.20
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide (CID 114386648) is 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide is CCc1nnc(NC(=O)c2cc(N)c(C)s2)nc1CC.
What is the InChIKey of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is VNGKUWURRXRXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-6-8(14)7(3)20-11/h6H,4-5,14H2,1-3H3,(H,15,16,18,19).
What are the key properties of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 114386648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).