(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol

C7H13N3OS — CID 22938879

IUPAC(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(CO)nnc1SC
InChIInChI=1S/C7H13N3OS/c1-3-4-10-6(5-11)8-9-7(10)12-2/h11H,3-5H2,1-2H3
InChIKeyDNLCIUKTPGAQOA-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.90
Rot. Bonds4

About (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol

(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol (PubChem CID 22938879) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol
PubChem CID22938879
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(CO)nnc1SC
InChIInChI=1S/C7H13N3OS/c1-3-4-10-6(5-11)8-9-7(10)12-2/h11H,3-5H2,1-2H3
InChIKeyDNLCIUKTPGAQOA-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol (CID 22938879) is (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol is CCCn1c(CO)nnc1SC.
What is the InChIKey of (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is DNLCIUKTPGAQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-4-10-6(5-11)8-9-7(10)12-2/h11H,3-5H2,1-2H3.
What are the key properties of (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol?
(5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 187.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-4-propyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 22938879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).