[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol

C7H13N3OS — CID 79600169

IUPAC[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol
SMILESCC(C)SCc1nc(CO)n[nH]1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-4-7-8-6(3-11)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyKYZLSANADZACMT-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.94
Rot. Bonds4

About [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol

[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol (PubChem CID 79600169) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol
PubChem CID79600169
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol
SMILESCC(C)SCc1nc(CO)n[nH]1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-4-7-8-6(3-11)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyKYZLSANADZACMT-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol 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 [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol (CID 79600169) is [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol is CC(C)SCc1nc(CO)n[nH]1.
What is the InChIKey of [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol?
The InChIKey is KYZLSANADZACMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)12-4-7-8-6(3-11)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol?
[5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol has a molecular weight of 187.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 79600169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).