1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine

C6H7N5S — CID 65273578

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine
SMILESCc1nsc(-n2cc(N)cn2)n1
InChIInChI=1S/C6H7N5S/c1-4-9-6(12-10-4)11-3-5(7)2-8-11/h2-3H,7H2,1H3
InChIKeyIWFMRATWTFETMZ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.61
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine (PubChem CID 65273578) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine
PubChem CID65273578
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine
SMILESCc1nsc(-n2cc(N)cn2)n1
InChIInChI=1S/C6H7N5S/c1-4-9-6(12-10-4)11-3-5(7)2-8-11/h2-3H,7H2,1H3
InChIKeyIWFMRATWTFETMZ-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine (CID 65273578) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine is Cc1nsc(-n2cc(N)cn2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine?
The InChIKey is IWFMRATWTFETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-4-9-6(12-10-4)11-3-5(7)2-8-11/h2-3H,7H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine has a molecular weight of 181.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine is sourced from PubChem (CID 65273578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).