1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide

C10H10N6OS — CID 61216622

IUPAC1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3ncn[nH]3)cc12
InChIInChI=1S/C10H10N6OS/c1-5-6-3-7(18-9(6)16(2)15-5)8(17)13-10-11-4-12-14-10/h3-4H,1-2H3,(H2,11,12,13,14,17)
InChIKeyIUUOGOWUMARARS-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.31
Rot. Bonds2

About 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 61216622) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID61216622
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3ncn[nH]3)cc12
InChIInChI=1S/C10H10N6OS/c1-5-6-3-7(18-9(6)16(2)15-5)8(17)13-10-11-4-12-14-10/h3-4H,1-2H3,(H2,11,12,13,14,17)
InChIKeyIUUOGOWUMARARS-UHFFFAOYSA-N
XLogP1.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51314909
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
1,3-dimethyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 30806845
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 61216622) is 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3ncn[nH]3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IUUOGOWUMARARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-5-6-3-7(18-9(6)16(2)15-5)8(17)13-10-11-4-12-14-10/h3-4H,1-2H3,(H2,11,12,13,14,17).
What are the key properties of 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 61216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).