benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane

C14H20N5OP — CID 148781712

IUPACbenzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
SMILESc1ccc2c(c1)nnn2OP(N1CCCC1)N1CCCC1
InChIInChI=1S/C14H20N5OP/c1-2-8-14-13(7-1)15-16-19(14)20-21(17-9-3-4-10-17)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2
InChIKeyOKKVUBJLBLMFNI-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.28
Rot. Bonds4

About benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane

benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane (PubChem CID 148781712) has the molecular formula C14H20N5OP and a molecular weight of 305.32 g/mol. Its IUPAC name is benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane.

Molecular Properties

Compound Namebenzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
PubChem CID148781712
Molecular FormulaC14H20N5OP
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Namebenzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
SMILESc1ccc2c(c1)nnn2OP(N1CCCC1)N1CCCC1
InChIInChI=1S/C14H20N5OP/c1-2-8-14-13(7-1)15-16-19(14)20-21(17-9-3-4-10-17)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2
InChIKeyOKKVUBJLBLMFNI-UHFFFAOYSA-N
XLogP2.28
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methoxybenzotriazole
CID 161160564
tris(benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium);phosphate
CID 158267543
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate
CID 11711435
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
1-(aziridin-1-yl)benzotriazole
CID 137470324
dodecakis(benzotriazol-1-yloxy(pyrrolidin-1-yl)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 22016374
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
CID 142638813
benzotriazol-1-yl 2-(methylamino)acetate
CID 58945313
1-(2-bromo-4-pyrrolidin-1-ylphenoxy)benzotriazole
CID 130451226
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

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane?
The IUPAC name of benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane (CID 148781712) is benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane.
What is the SMILES notation for benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane?
The canonical SMILES for benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane is c1ccc2c(c1)nnn2OP(N1CCCC1)N1CCCC1.
What is the InChIKey of benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane?
The InChIKey is OKKVUBJLBLMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N5OP/c1-2-8-14-13(7-1)15-16-19(14)20-21(17-9-3-4-10-17)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2.
What are the key properties of benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane?
benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane has a molecular weight of 305.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane is sourced from PubChem (CID 148781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).