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

C9H18N4OS — CID 64807850

IUPAC2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCCNC(C)(CO)CSc1nncn1C
InChIInChI=1S/C9H18N4OS/c1-4-10-9(2,5-14)6-15-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3
InChIKeyYUJWYUPKHJZXRF-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.27
Rot. Bonds6

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

2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (PubChem CID 64807850) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
PubChem CID64807850
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCCNC(C)(CO)CSc1nncn1C
InChIInChI=1S/C9H18N4OS/c1-4-10-9(2,5-14)6-15-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3
InChIKeyYUJWYUPKHJZXRF-UHFFFAOYSA-N
XLogP0.27
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-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 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (CID 64807850) is 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is CCNC(C)(CO)CSc1nncn1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The InChIKey is YUJWYUPKHJZXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-4-10-9(2,5-14)6-15-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol has a molecular weight of 230.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).