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

C5H10N4OS — CID 43188092

IUPAC1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSc1ncn[nH]1
InChIInChI=1S/C5H10N4OS/c6-1-4(10)2-11-5-7-3-8-9-5/h3-4,10H,1-2,6H2,(H,7,8,9)
InChIKeyLTVVCJCTJUZUEO-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.78
Rot. Bonds4

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

1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (PubChem CID 43188092) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
PubChem CID43188092
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSc1ncn[nH]1
InChIInChI=1S/C5H10N4OS/c6-1-4(10)2-11-5-7-3-8-9-5/h3-4,10H,1-2,6H2,(H,7,8,9)
InChIKeyLTVVCJCTJUZUEO-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 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (CID 43188092) is 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is NCC(O)CSc1ncn[nH]1.
What is the InChIKey of 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The InChIKey is LTVVCJCTJUZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c6-1-4(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 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-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 1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43188092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).