aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile

C6H13N6O2P — CID 69421706

IUPACaminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile
SMILESCCc1nnn(CCC#N)n1.NP(O)O
InChIInChI=1S/C6H9N5.H4NO2P/c1-2-6-8-10-11(9-6)5-3-4-7;1-4(2)3/h2-3,5H2,1H3;2-3H,1H2
InChIKeyVANGPPPQSLHODT-UHFFFAOYSA-N
MW232.18 g/mol
LogP-0.69
Rot. Bonds3

About aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile

aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile (PubChem CID 69421706) has the molecular formula C6H13N6O2P and a molecular weight of 232.18 g/mol. Its IUPAC name is aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile.

Molecular Properties

Compound Nameaminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile
PubChem CID69421706
Molecular FormulaC6H13N6O2P
Molecular Weight232.18 g/mol
Exact Mass232.08
IUPAC Nameaminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile
SMILESCCc1nnn(CCC#N)n1.NP(O)O
InChIInChI=1S/C6H9N5.H4NO2P/c1-2-6-8-10-11(9-6)5-3-4-7;1-4(2)3/h2-3,5H2,1H3;2-3H,1H2
InChIKeyVANGPPPQSLHODT-UHFFFAOYSA-N
XLogP-0.69
TPSA133.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(sulfanylmethyl)tetrazol-2-yl]propanenitrile
CID 138495391
3-(benzotriazol-2-yl)propanenitrile
CID 11355758
2-butyl-5-propyltetrazole
CID 69034353
2-[4-(5-ethyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609782
2-[5-[(4-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820083
4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
CID 156622018
2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride
CID 84799367
2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820081
3-[5-(2-methoxy-4-pentylphenyl)tetrazol-2-yl]propanenitrile
CID 66634419
3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol
CID 57466832
3-(4,5-dimethylimidazol-1-yl)propanenitrile
CID 62350561
tert-butyl N-[2-(5-ethyltetrazol-2-yl)ethyl]carbamate;5-ethenyl-2H-tetrazole;5-ethyl-2H-tetrazole;2-(5-ethyltetrazol-2-yl)ethanamine;prop-2-enenitrile
CID 159565779

Frequently Asked Questions

What is the IUPAC name of aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile?
The IUPAC name of aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile (CID 69421706) is aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile.
What is the SMILES notation for aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile?
The canonical SMILES for aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile is CCc1nnn(CCC#N)n1.NP(O)O.
What is the InChIKey of aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile?
The InChIKey is VANGPPPQSLHODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5.H4NO2P/c1-2-6-8-10-11(9-6)5-3-4-7;1-4(2)3/h2-3,5H2,1H3;2-3H,1H2.
What are the key properties of aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile?
aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile has a molecular weight of 232.18 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonous acid;3-(5-ethyltetrazol-2-yl)propanenitrile is sourced from PubChem (CID 69421706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).