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

C7H11N3OS — CID 83383698

IUPAC(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol
SMILESCSc1nnc(CO)n1C1CC1
InChIInChI=1S/C7H11N3OS/c1-12-7-9-8-6(4-11)10(7)5-2-3-5/h5,11H,2-4H2,1H3
InChIKeyRJDOENCFFVMFFR-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.83
Rot. Bonds3

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

(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol (PubChem CID 83383698) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol
PubChem CID83383698
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol
SMILESCSc1nnc(CO)n1C1CC1
InChIInChI=1S/C7H11N3OS/c1-12-7-9-8-6(4-11)10(7)5-2-3-5/h5,11H,2-4H2,1H3
InChIKeyRJDOENCFFVMFFR-UHFFFAOYSA-N
XLogP0.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol (CID 83383698) is (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol is CSc1nnc(CO)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is RJDOENCFFVMFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-12-7-9-8-6(4-11)10(7)5-2-3-5/h5,11H,2-4H2,1H3.
What are the key properties of (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol?
(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 185.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 83383698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).