2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol

C10H20N4OS — CID 64805905

IUPAC2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
SMILESCc1nnc(SC(C)CC(C)(N)CO)n1C
InChIInChI=1S/C10H20N4OS/c1-7(5-10(3,11)6-15)16-9-13-12-8(2)14(9)4/h7,15H,5-6,11H2,1-4H3
InChIKeyWWXHVSAFOYGPKC-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.70
Rot. Bonds5

About 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol

2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol (PubChem CID 64805905) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
PubChem CID64805905
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
SMILESCc1nnc(SC(C)CC(C)(N)CO)n1C
InChIInChI=1S/C10H20N4OS/c1-7(5-10(3,11)6-15)16-9-13-12-8(2)14(9)4/h7,15H,5-6,11H2,1-4H3
InChIKeyWWXHVSAFOYGPKC-UHFFFAOYSA-N
XLogP0.70
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol (CID 64805905) is 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol is Cc1nnc(SC(C)CC(C)(N)CO)n1C.
What is the InChIKey of 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The InChIKey is WWXHVSAFOYGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-7(5-10(3,11)6-15)16-9-13-12-8(2)14(9)4/h7,15H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol is sourced from PubChem (CID 64805905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).