1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole

C10H18N4OS — CID 71907294

IUPAC1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
SMILESCOCCCC(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyWIPCIAJUNKDCRH-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.92
Rot. Bonds7

About 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole

1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole (PubChem CID 71907294) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
PubChem CID71907294
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
SMILESCOCCCC(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyWIPCIAJUNKDCRH-UHFFFAOYSA-N
XLogP1.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole 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 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole?
The IUPAC name of 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole (CID 71907294) is 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole?
The canonical SMILES for 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole is COCCCC(C)Sc1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole?
The InChIKey is WIPCIAJUNKDCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole?
1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole has a molecular weight of 242.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole is sourced from PubChem (CID 71907294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).