diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane

C5H12N4P4 — CID 58622771

IUPACdiphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane
SMILESC[C@H]1Cc2nnnn2[C@@H]1P(P)PP
InChIInChI=1S/C5H12N4P4/c1-3-2-4-6-7-8-9(4)5(3)13(11)12-10/h3,5,12H,2,10-11H2,1H3/t3-,5+,13?/m0/s1
InChIKeyKJIJUBVUQZZKGX-HDJNDZBRSA-N
MW252.08 g/mol
LogP2.02
Rot. Bonds2

About diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane

diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane (PubChem CID 58622771) has the molecular formula C5H12N4P4 and a molecular weight of 252.08 g/mol. Its IUPAC name is diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane.

Molecular Properties

Compound Namediphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane
PubChem CID58622771
Molecular FormulaC5H12N4P4
Molecular Weight252.08 g/mol
Exact Mass252.00
IUPAC Namediphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane
SMILESC[C@H]1Cc2nnnn2[C@@H]1P(P)PP
InChIInChI=1S/C5H12N4P4/c1-3-2-4-6-7-8-9(4)5(3)13(11)12-10/h3,5,12H,2,10-11H2,1H3/t3-,5+,13?/m0/s1
InChIKeyKJIJUBVUQZZKGX-HDJNDZBRSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane?
The IUPAC name of diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane (CID 58622771) is diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane.
What is the SMILES notation for diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane?
The canonical SMILES for diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane is C[C@H]1Cc2nnnn2[C@@H]1P(P)PP.
What is the InChIKey of diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane?
The InChIKey is KJIJUBVUQZZKGX-HDJNDZBRSA-N. The full InChI is InChI=1S/C5H12N4P4/c1-3-2-4-6-7-8-9(4)5(3)13(11)12-10/h3,5,12H,2,10-11H2,1H3/t3-,5+,13?/m0/s1.
What are the key properties of diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane?
diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane has a molecular weight of 252.08 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphanyl-[(5R,6S)-6-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazol-5-yl]-phosphanylphosphane is sourced from PubChem (CID 58622771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).