1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

C8H16N4OS — CID 43166381

IUPAC1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nncn1C
InChIInChI=1S/C8H16N4OS/c1-3-9-4-7(13)5-14-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyDUFMTWSMTIYMIX-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.12
Rot. Bonds6

About 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (PubChem CID 43166381) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
PubChem CID43166381
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nncn1C
InChIInChI=1S/C8H16N4OS/c1-3-9-4-7(13)5-14-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyDUFMTWSMTIYMIX-UHFFFAOYSA-N
XLogP-0.12
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (CID 43166381) is 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is CCNCC(O)CSc1nncn1C.
What is the InChIKey of 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The InChIKey is DUFMTWSMTIYMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-3-9-4-7(13)5-14-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol has a molecular weight of 216.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 43166381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).