5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C12H12N6O2S — CID 121499141

IUPAC5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCn2ccnn2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C12H12N6O2S/c1-7-8-10(19)14-6-15-12(8)21-9(7)11(20)13-2-4-18-5-3-16-17-18/h3,5-6H,2,4H2,1H3,(H,13,20)(H,14,15,19)
InChIKeyWQLMGDKXZNELFC-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.31
Rot. Bonds4

About 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 121499141) has the molecular formula C12H12N6O2S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID121499141
Molecular FormulaC12H12N6O2S
Molecular Weight304.33 g/mol
Exact Mass304.07
IUPAC Name5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCn2ccnn2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C12H12N6O2S/c1-7-8-10(19)14-6-15-12(8)21-9(7)11(20)13-2-4-18-5-3-16-17-18/h3,5-6H,2,4H2,1H3,(H,13,20)(H,14,15,19)
InChIKeyWQLMGDKXZNELFC-UHFFFAOYSA-N
XLogP0.31
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-indol-1-ylethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 71706303
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822683
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974358
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 131897091
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46978339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 121499141) is 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCn2ccnn2)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WQLMGDKXZNELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-7-8-10(19)14-6-15-12(8)21-9(7)11(20)13-2-4-18-5-3-16-17-18/h3,5-6H,2,4H2,1H3,(H,13,20)(H,14,15,19).
What are the key properties of 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 121499141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).