2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine

C7H14N4OS — CID 63069883

IUPAC2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
SMILESCCOC(CN)CSc1ncn[nH]1
InChIInChI=1S/C7H14N4OS/c1-2-12-6(3-8)4-13-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyILQRGGIIYFYTPU-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.26
Rot. Bonds6

About 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine

2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine (PubChem CID 63069883) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
PubChem CID63069883
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
SMILESCCOC(CN)CSc1ncn[nH]1
InChIInChI=1S/C7H14N4OS/c1-2-12-6(3-8)4-13-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyILQRGGIIYFYTPU-UHFFFAOYSA-N
XLogP0.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine (CID 63069883) is 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine is CCOC(CN)CSc1ncn[nH]1.
What is the InChIKey of 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine?
The InChIKey is ILQRGGIIYFYTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-2-12-6(3-8)4-13-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3,(H,9,10,11).
What are the key properties of 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine?
2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine has a molecular weight of 202.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 63069883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).