3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

C15H17N5OS — CID 50952972

IUPAC3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2C2CCCC2)o1
InChIInChI=1S/C15H17N5OS/c1-19-10-17-18-15(19)22-13-7-6-12(21-13)14-16-8-9-20(14)11-4-2-3-5-11/h6-11H,2-5H2,1H3
InChIKeySPOBYMFDLPEGCT-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.54
Rot. Bonds4

About 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (PubChem CID 50952972) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
PubChem CID50952972
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2C2CCCC2)o1
InChIInChI=1S/C15H17N5OS/c1-19-10-17-18-15(19)22-13-7-6-12(21-13)14-16-8-9-20(14)11-4-2-3-5-11/h6-11H,2-5H2,1H3
InChIKeySPOBYMFDLPEGCT-UHFFFAOYSA-N
XLogP3.54
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (CID 50952972) is 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is Cn1cnnc1Sc1ccc(-c2nccn2C2CCCC2)o1.
What is the InChIKey of 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The InChIKey is SPOBYMFDLPEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-19-10-17-18-15(19)22-13-7-6-12(21-13)14-16-8-9-20(14)11-4-2-3-5-11/h6-11H,2-5H2,1H3.
What are the key properties of 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole has a molecular weight of 315.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 50952972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).