nitrous acid;pyrazolidine

C3H9N3O2 — CID 174949881

IUPACnitrous acid;pyrazolidine
SMILESC1CNNC1.O=NO
InChIInChI=1S/C3H8N2.HNO2/c1-2-4-5-3-1;2-1-3/h4-5H,1-3H2;(H,2,3)
InChIKeySTGCHBCVQRGXRX-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.37
Rot. Bonds

About nitrous acid;pyrazolidine

nitrous acid;pyrazolidine (PubChem CID 174949881) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is nitrous acid;pyrazolidine.

Molecular Properties

Compound Namenitrous acid;pyrazolidine
PubChem CID174949881
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Namenitrous acid;pyrazolidine
SMILESC1CNNC1.O=NO
InChIInChI=1S/C3H8N2.HNO2/c1-2-4-5-3-1;2-1-3/h4-5H,1-3H2;(H,2,3)
InChIKeySTGCHBCVQRGXRX-UHFFFAOYSA-N
XLogP-0.37
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nitrous acid;pyrazolidine?
The IUPAC name of nitrous acid;pyrazolidine (CID 174949881) is nitrous acid;pyrazolidine.
What is the SMILES notation for nitrous acid;pyrazolidine?
The canonical SMILES for nitrous acid;pyrazolidine is C1CNNC1.O=NO.
What is the InChIKey of nitrous acid;pyrazolidine?
The InChIKey is STGCHBCVQRGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.HNO2/c1-2-4-5-3-1;2-1-3/h4-5H,1-3H2;(H,2,3).
What are the key properties of nitrous acid;pyrazolidine?
nitrous acid;pyrazolidine has a molecular weight of 119.12 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;pyrazolidine is sourced from PubChem (CID 174949881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).