[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane

C13H23N3P2 — CID 170278330

IUPAC[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane
SMILESCCCC1CCc2c(nnn2C2CC(P)(P)C2)C1
InChIInChI=1S/C13H23N3P2/c1-2-3-9-4-5-12-11(6-9)14-15-16(12)10-7-13(17,18)8-10/h9-10H,2-8,17-18H2,1H3
InChIKeyMLQFHQQVZXERGL-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.96
Rot. Bonds3

About [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane

[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane (PubChem CID 170278330) has the molecular formula C13H23N3P2 and a molecular weight of 283.30 g/mol. Its IUPAC name is [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane.

Molecular Properties

Compound Name[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane
PubChem CID170278330
Molecular FormulaC13H23N3P2
Molecular Weight283.30 g/mol
Exact Mass283.14
IUPAC Name[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane
SMILESCCCC1CCc2c(nnn2C2CC(P)(P)C2)C1
InChIInChI=1S/C13H23N3P2/c1-2-3-9-4-5-12-11(6-9)14-15-16(12)10-7-13(17,18)8-10/h9-10H,2-8,17-18H2,1H3
InChIKeyMLQFHQQVZXERGL-UHFFFAOYSA-N
XLogP2.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane 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-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane?
The IUPAC name of [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane (CID 170278330) is [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane.
What is the SMILES notation for [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane?
The canonical SMILES for [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane is CCCC1CCc2c(nnn2C2CC(P)(P)C2)C1.
What is the InChIKey of [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane?
The InChIKey is MLQFHQQVZXERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3P2/c1-2-3-9-4-5-12-11(6-9)14-15-16(12)10-7-13(17,18)8-10/h9-10H,2-8,17-18H2,1H3.
What are the key properties of [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane?
[1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane has a molecular weight of 283.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phosphanyl-3-(5-propyl-4,5,6,7-tetrahydrobenzotriazol-1-yl)cyclobutyl]phosphane is sourced from PubChem (CID 170278330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).