[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone

C18H24N4OS — CID 146070384

IUPAC[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone
SMILESCCCc1nc(C2CN(C(=O)c3ccsc3)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H24N4OS/c1-2-5-15-19-16(21-20-15)14-10-22(12-18(14)7-3-4-8-18)17(23)13-6-9-24-11-13/h6,9,11,14H,2-5,7-8,10,12H2,1H3,(H,19,20,21)
InChIKeyRBYYSXBXHNDHRV-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.62
Rot. Bonds4

About [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone

[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone (PubChem CID 146070384) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone
PubChem CID146070384
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone
SMILESCCCc1nc(C2CN(C(=O)c3ccsc3)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H24N4OS/c1-2-5-15-19-16(21-20-15)14-10-22(12-18(14)7-3-4-8-18)17(23)13-6-9-24-11-13/h6,9,11,14H,2-5,7-8,10,12H2,1H3,(H,19,20,21)
InChIKeyRBYYSXBXHNDHRV-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone (CID 146070384) is [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone is CCCc1nc(C2CN(C(=O)c3ccsc3)CC23CCCC3)n[nH]1.
What is the InChIKey of [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is RBYYSXBXHNDHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-5-15-19-16(21-20-15)14-10-22(12-18(14)7-3-4-8-18)17(23)13-6-9-24-11-13/h6,9,11,14H,2-5,7-8,10,12H2,1H3,(H,19,20,21).
What are the key properties of [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone?
[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 146070384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).