1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine

C6H9N3S — CID 82416296

IUPAC1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CCSC2
InChIInChI=1S/C6H9N3S/c7-6-4-1-2-10-3-5(4)8-9-6/h1-3H2,(H3,7,8,9)
InChIKeyLYRFCQSYARMOPV-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.78
Rot. Bonds

About 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine

1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine (PubChem CID 82416296) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine.

Molecular Properties

Compound Name1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine
PubChem CID82416296
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CCSC2
InChIInChI=1S/C6H9N3S/c7-6-4-1-2-10-3-5(4)8-9-6/h1-3H2,(H3,7,8,9)
InChIKeyLYRFCQSYARMOPV-UHFFFAOYSA-N
XLogP0.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine?
The IUPAC name of 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine (CID 82416296) is 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine.
What is the SMILES notation for 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine?
The canonical SMILES for 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine is Nc1n[nH]c2c1CCSC2.
What is the InChIKey of 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine?
The InChIKey is LYRFCQSYARMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-6-4-1-2-10-3-5(4)8-9-6/h1-3H2,(H3,7,8,9).
What are the key properties of 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine?
1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine has a molecular weight of 155.23 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazol-3-amine is sourced from PubChem (CID 82416296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).