4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol

C10H20N4OS — CID 64805906

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCSc1nnc(C)n1C
InChIInChI=1S/C10H20N4OS/c1-8-12-13-9(14(8)4)16-6-5-10(2,7-15)11-3/h11,15H,5-7H2,1-4H3
InChIKeyGWZJBOSLZSRRSI-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.58
Rot. Bonds6

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64805906) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64805906
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCSc1nnc(C)n1C
InChIInChI=1S/C10H20N4OS/c1-8-12-13-9(14(8)4)16-6-5-10(2,7-15)11-3/h11,15H,5-7H2,1-4H3
InChIKeyGWZJBOSLZSRRSI-UHFFFAOYSA-N
XLogP0.58
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol (CID 64805906) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCSc1nnc(C)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is GWZJBOSLZSRRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-8-12-13-9(14(8)4)16-6-5-10(2,7-15)11-3/h11,15H,5-7H2,1-4H3.
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64805906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).