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

C8H9N5S — CID 90286692

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1nc(C2CC2)ns1
InChIInChI=1S/C8H9N5S/c9-6-3-4-10-13(6)8-11-7(12-14-8)5-1-2-5/h3-5H,1-2,9H2
InChIKeyQLRHFTBOZXWODN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.18
Rot. Bonds2

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

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine (PubChem CID 90286692) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
PubChem CID90286692
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1nc(C2CC2)ns1
InChIInChI=1S/C8H9N5S/c9-6-3-4-10-13(6)8-11-7(12-14-8)5-1-2-5/h3-5H,1-2,9H2
InChIKeyQLRHFTBOZXWODN-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine (CID 90286692) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine is Nc1ccnn1-c1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The InChIKey is QLRHFTBOZXWODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-6-3-4-10-13(6)8-11-7(12-14-8)5-1-2-5/h3-5H,1-2,9H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine has a molecular weight of 207.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine is sourced from PubChem (CID 90286692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).