1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

C11H19N3OS — CID 103160775

IUPAC1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCc1nc(SCC(O)CC2CCCC2)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-8-12-11(14-13-8)16-7-10(15)6-9-4-2-3-5-9/h9-10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyPFYYLIFDRSYQAA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.15
Rot. Bonds5

About 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (PubChem CID 103160775) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
PubChem CID103160775
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCc1nc(SCC(O)CC2CCCC2)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-8-12-11(14-13-8)16-7-10(15)6-9-4-2-3-5-9/h9-10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyPFYYLIFDRSYQAA-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (CID 103160775) is 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is Cc1nc(SCC(O)CC2CCCC2)n[nH]1.
What is the InChIKey of 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The InChIKey is PFYYLIFDRSYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-12-11(14-13-8)16-7-10(15)6-9-4-2-3-5-9/h9-10,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 103160775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).