4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine

C6H6ClN5S — CID 130961363

IUPAC4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
SMILESNc1nn(Cc2cnsn2)cc1Cl
InChIInChI=1S/C6H6ClN5S/c7-5-3-12(10-6(5)8)2-4-1-9-13-11-4/h1,3H,2H2,(H2,8,10)
InChIKeyXCDKDORHKRDJHJ-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.02
Rot. Bonds2

About 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine

4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine (PubChem CID 130961363) has the molecular formula C6H6ClN5S and a molecular weight of 215.67 g/mol. Its IUPAC name is 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
PubChem CID130961363
Molecular FormulaC6H6ClN5S
Molecular Weight215.67 g/mol
Exact Mass215.00
IUPAC Name4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
SMILESNc1nn(Cc2cnsn2)cc1Cl
InChIInChI=1S/C6H6ClN5S/c7-5-3-12(10-6(5)8)2-4-1-9-13-11-4/h1,3H,2H2,(H2,8,10)
InChIKeyXCDKDORHKRDJHJ-UHFFFAOYSA-N
XLogP1.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine (CID 130961363) is 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine is Nc1nn(Cc2cnsn2)cc1Cl.
What is the InChIKey of 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine?
The InChIKey is XCDKDORHKRDJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5S/c7-5-3-12(10-6(5)8)2-4-1-9-13-11-4/h1,3H,2H2,(H2,8,10).
What are the key properties of 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine?
4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine has a molecular weight of 215.67 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 130961363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).