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

C5H10N4OS — CID 64806353

IUPAC2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1ncn[nH]1
InChIInChI=1S/C5H10N4OS/c6-4(1-10)2-11-5-7-3-8-9-5/h3-4,10H,1-2,6H2,(H,7,8,9)
InChIKeyILERYLGVGAYQHN-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.78
Rot. Bonds4

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

2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol (PubChem CID 64806353) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol
PubChem CID64806353
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1ncn[nH]1
InChIInChI=1S/C5H10N4OS/c6-4(1-10)2-11-5-7-3-8-9-5/h3-4,10H,1-2,6H2,(H,7,8,9)
InChIKeyILERYLGVGAYQHN-UHFFFAOYSA-N
XLogP-0.78
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol (CID 64806353) is 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol is NC(CO)CSc1ncn[nH]1.
What is the InChIKey of 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol?
The InChIKey is ILERYLGVGAYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c6-4(1-10)2-11-5-7-3-8-9-5/h3-4,10H,1-2,6H2,(H,7,8,9).
What are the key properties of 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol?
2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol has a molecular weight of 174.23 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64806353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).