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

C11H13N5OS — CID 114386560

IUPAC4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(N)c(C)s2)nc1C
InChIInChI=1S/C11H13N5OS/c1-5-6(2)15-16-11(13-5)14-10(17)9-4-8(12)7(3)18-9/h4H,12H2,1-3H3,(H,13,14,16,17)
InChIKeyMKDQFBNCUHRKCU-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.69
Rot. Bonds2

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

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide (PubChem CID 114386560) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
PubChem CID114386560
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(N)c(C)s2)nc1C
InChIInChI=1S/C11H13N5OS/c1-5-6(2)15-16-11(13-5)14-10(17)9-4-8(12)7(3)18-9/h4H,12H2,1-3H3,(H,13,14,16,17)
InChIKeyMKDQFBNCUHRKCU-UHFFFAOYSA-N
XLogP1.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.69
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-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide (CID 114386560) is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(N)c(C)s2)nc1C.
What is the InChIKey of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is MKDQFBNCUHRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-5-6(2)15-16-11(13-5)14-10(17)9-4-8(12)7(3)18-9/h4H,12H2,1-3H3,(H,13,14,16,17).
What are the key properties of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.69, 2 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-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 114386560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).