1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol

C9H15N3OS — CID 65213125

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol
SMILESCn1cnnc1SCC1(O)CCCC1
InChIInChI=1S/C9H15N3OS/c1-12-7-10-11-8(12)14-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3
InChIKeyGTKURFZNKKFOKQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.21
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol

1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol (PubChem CID 65213125) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol
PubChem CID65213125
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol
SMILESCn1cnnc1SCC1(O)CCCC1
InChIInChI=1S/C9H15N3OS/c1-12-7-10-11-8(12)14-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3
InChIKeyGTKURFZNKKFOKQ-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol (CID 65213125) is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol is Cn1cnnc1SCC1(O)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is GTKURFZNKKFOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-12-7-10-11-8(12)14-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol?
1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 65213125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).