1-(benzotriazol-1-yl)prop-2-enyliminophosphanium

C9H10N4P+ — CID 173283715

IUPAC1-(benzotriazol-1-yl)prop-2-enyliminophosphanium
SMILESC=CC(N=[PH2+])n1nnc2ccccc21
InChIInChI=1S/C9H9N4P/c1-2-9(11-14)13-8-6-4-3-5-7(8)10-12-13/h2-6,9,14H,1H2/p+1
InChIKeyREFXGADQCQHXAF-UHFFFAOYSA-O
MW205.18 g/mol
LogP2.17
Rot. Bonds3

About 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium

1-(benzotriazol-1-yl)prop-2-enyliminophosphanium (PubChem CID 173283715) has the molecular formula C9H10N4P+ and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)prop-2-enyliminophosphanium
PubChem CID173283715
Molecular FormulaC9H10N4P+
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name1-(benzotriazol-1-yl)prop-2-enyliminophosphanium
SMILESC=CC(N=[PH2+])n1nnc2ccccc21
InChIInChI=1S/C9H9N4P/c1-2-9(11-14)13-8-6-4-3-5-7(8)10-12-13/h2-6,9,14H,1H2/p+1
InChIKeyREFXGADQCQHXAF-UHFFFAOYSA-O
XLogP2.17
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308449
1-(5-chloropent-1-en-3-yl)benzotriazole
CID 4556239
1-[1-(3-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308451
2-(benzotriazol-1-yl)-1-cyclohexylbut-3-en-1-ol
CID 4680399
N-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)but-3-enyl]-4-methylaniline
CID 44890597
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
1-[(1S,2S)-2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 30741863
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 3819704
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium?
The IUPAC name of 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium (CID 173283715) is 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium.
What is the SMILES notation for 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium?
The canonical SMILES for 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium is C=CC(N=[PH2+])n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium?
The InChIKey is REFXGADQCQHXAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N4P/c1-2-9(11-14)13-8-6-4-3-5-7(8)10-12-13/h2-6,9,14H,1H2/p+1.
What are the key properties of 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium?
1-(benzotriazol-1-yl)prop-2-enyliminophosphanium has a molecular weight of 205.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)prop-2-enyliminophosphanium is sourced from PubChem (CID 173283715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).