4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol

C6H10N4OS — CID 63702920

IUPAC4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ncn[nH]1
InChIInChI=1S/C6H10N4OS/c11-4-1-7-2-5(4)12-6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)
InChIKeyAGHLONBTGVJYOV-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.77
Rot. Bonds2

About 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol

4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol (PubChem CID 63702920) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol
PubChem CID63702920
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1Sc1ncn[nH]1
InChIInChI=1S/C6H10N4OS/c11-4-1-7-2-5(4)12-6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)
InChIKeyAGHLONBTGVJYOV-UHFFFAOYSA-N
XLogP-0.77
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol (CID 63702920) is 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol is OC1CNCC1Sc1ncn[nH]1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol?
The InChIKey is AGHLONBTGVJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c11-4-1-7-2-5(4)12-6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol?
4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol has a molecular weight of 186.24 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-3-ol is sourced from PubChem (CID 63702920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).