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

C11H12N6OS — CID 78927998

IUPAC1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(C)nn(C)c3s2)n[nH]1
InChIInChI=1S/C11H12N6OS/c1-5-7-4-8(19-10(7)17(3)16-5)9(18)13-11-12-6(2)14-15-11/h4H,1-3H3,(H2,12,13,14,15,18)
InChIKeyREBNPPPRSHFQTD-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.62
Rot. Bonds2

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

1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 78927998) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID78927998
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(C)nn(C)c3s2)n[nH]1
InChIInChI=1S/C11H12N6OS/c1-5-7-4-8(19-10(7)17(3)16-5)9(18)13-11-12-6(2)14-15-11/h4H,1-3H3,(H2,12,13,14,15,18)
InChIKeyREBNPPPRSHFQTD-UHFFFAOYSA-N
XLogP1.62
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 78927998) is 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc3c(C)nn(C)c3s2)n[nH]1.
What is the InChIKey of 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is REBNPPPRSHFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-5-7-4-8(19-10(7)17(3)16-5)9(18)13-11-12-6(2)14-15-11/h4H,1-3H3,(H2,12,13,14,15,18).
What are the key properties of 1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.62, 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-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 78927998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).