azane;1,3-dihydroxypropan-2-yl nitrate

C3H10N2O5 — CID 139485194

IUPACazane;1,3-dihydroxypropan-2-yl nitrate
SMILESN.O=[N+]([O-])OC(CO)CO
InChIInChI=1S/C3H7NO5.H3N/c5-1-3(2-6)9-4(7)8;/h3,5-6H,1-2H2;1H3
InChIKeyNPRLMZDDKOCRBA-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.29
Rot. Bonds4

About azane;1,3-dihydroxypropan-2-yl nitrate

azane;1,3-dihydroxypropan-2-yl nitrate (PubChem CID 139485194) has the molecular formula C3H10N2O5 and a molecular weight of 154.12 g/mol. Its IUPAC name is azane;1,3-dihydroxypropan-2-yl nitrate.

Molecular Properties

Compound Nameazane;1,3-dihydroxypropan-2-yl nitrate
PubChem CID139485194
Molecular FormulaC3H10N2O5
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Nameazane;1,3-dihydroxypropan-2-yl nitrate
SMILESN.O=[N+]([O-])OC(CO)CO
InChIInChI=1S/C3H7NO5.H3N/c5-1-3(2-6)9-4(7)8;/h3,5-6H,1-2H2;1H3
InChIKeyNPRLMZDDKOCRBA-UHFFFAOYSA-N
XLogP-1.29
TPSA127.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dihydroxypropan-2-yl nitrate;nitric acid
CID 174772297
[(2R)-3-hydroxy-2-nitrooxypropyl] propaneperoxoate
CID 123831914
bis(1,3-dinitrooxypropan-2-yl nitrate);ethanol
CID 174833415
1-nitrobutan-2-yl nitrate
CID 18714867
[(3S)-7-hydroxyheptan-3-yl] nitrate
CID 59370631
1,3-dinitrooxypropan-2-yl nitrate;propan-2-one
CID 163604435
undecan-6-yl nitrate
CID 91750842
[(2R)-1-(2-hydroxyethoxy)-3-nitrooxypropan-2-yl] nitrate
CID 59370633
2-(1-nitropropan-2-yloxy)propane-1,3-diol
CID 163417305
4-chloro-3-nitrooxybutanoic acid
CID 22622755
4-hydroxybutan-2-yl nitrate
CID 122699892
butane-1,2,3,4-tetrol;[(2R,3S)-1,3,4-trinitrooxybutan-2-yl] nitrate
CID 87220576

Frequently Asked Questions

What is the IUPAC name of azane;1,3-dihydroxypropan-2-yl nitrate?
The IUPAC name of azane;1,3-dihydroxypropan-2-yl nitrate (CID 139485194) is azane;1,3-dihydroxypropan-2-yl nitrate.
What is the SMILES notation for azane;1,3-dihydroxypropan-2-yl nitrate?
The canonical SMILES for azane;1,3-dihydroxypropan-2-yl nitrate is N.O=[N+]([O-])OC(CO)CO.
What is the InChIKey of azane;1,3-dihydroxypropan-2-yl nitrate?
The InChIKey is NPRLMZDDKOCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5.H3N/c5-1-3(2-6)9-4(7)8;/h3,5-6H,1-2H2;1H3.
What are the key properties of azane;1,3-dihydroxypropan-2-yl nitrate?
azane;1,3-dihydroxypropan-2-yl nitrate has a molecular weight of 154.12 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-dihydroxypropan-2-yl nitrate is sourced from PubChem (CID 139485194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).