2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol

C7H14N4OS — CID 64806988

IUPAC2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
SMILESCC(N)(CO)CCSc1ncn[nH]1
InChIInChI=1S/C7H14N4OS/c1-7(8,4-12)2-3-13-6-9-5-10-11-6/h5,12H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyJTWGQXJSBIIETO-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.00
Rot. Bonds5

About 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol

2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol (PubChem CID 64806988) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
PubChem CID64806988
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
SMILESCC(N)(CO)CCSc1ncn[nH]1
InChIInChI=1S/C7H14N4OS/c1-7(8,4-12)2-3-13-6-9-5-10-11-6/h5,12H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyJTWGQXJSBIIETO-UHFFFAOYSA-N
XLogP-0.00
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-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-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol (CID 64806988) is 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol is CC(N)(CO)CCSc1ncn[nH]1.
What is the InChIKey of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol?
The InChIKey is JTWGQXJSBIIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-7(8,4-12)2-3-13-6-9-5-10-11-6/h5,12H,2-4,8H2,1H3,(H,9,10,11).
What are the key properties of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol?
2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol has a molecular weight of 202.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64806988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).