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

C6H7N5S2 — CID 103079624

IUPAC1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine
SMILESCn1cc(N)c(Sc2ncns2)n1
InChIInChI=1S/C6H7N5S2/c1-11-2-4(7)5(10-11)12-6-8-3-9-13-6/h2-3H,7H2,1H3
InChIKeyZDCKLFCOKCRXBR-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.00
Rot. Bonds2

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

1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine (PubChem CID 103079624) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine
PubChem CID103079624
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine
SMILESCn1cc(N)c(Sc2ncns2)n1
InChIInChI=1S/C6H7N5S2/c1-11-2-4(7)5(10-11)12-6-8-3-9-13-6/h2-3H,7H2,1H3
InChIKeyZDCKLFCOKCRXBR-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine (CID 103079624) is 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine is Cn1cc(N)c(Sc2ncns2)n1.
What is the InChIKey of 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine?
The InChIKey is ZDCKLFCOKCRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-11-2-4(7)5(10-11)12-6-8-3-9-13-6/h2-3H,7H2,1H3.
What are the key properties of 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine?
1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine has a molecular weight of 213.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 103079624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).