(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid

C3H5N5O4 — CID 15547784

IUPAC(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
SMILESN/C(=N\N=C\C(=O)O)N[N+](=O)[O-]
InChIInChI=1S/C3H5N5O4/c4-3(7-8(11)12)6-5-1-2(9)10/h1H,(H,9,10)(H3,4,6,7)/b5-1+
InChIKeyLPNFCWOBFPSPKN-ORCRQEGFSA-N
MW175.10 g/mol
LogP-1.85
Rot. Bonds3

About (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid

(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid (PubChem CID 15547784) has the molecular formula C3H5N5O4 and a molecular weight of 175.10 g/mol. Its IUPAC name is (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
PubChem CID15547784
Molecular FormulaC3H5N5O4
Molecular Weight175.10 g/mol
Exact Mass175.03
IUPAC Name(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
SMILESN/C(=N\N=C\C(=O)O)N[N+](=O)[O-]
InChIInChI=1S/C3H5N5O4/c4-3(7-8(11)12)6-5-1-2(9)10/h1H,(H,9,10)(H3,4,6,7)/b5-1+
InChIKeyLPNFCWOBFPSPKN-ORCRQEGFSA-N
XLogP-1.85
TPSA143.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid?
The IUPAC name of (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid (CID 15547784) is (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid.
What is the SMILES notation for (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid?
The canonical SMILES for (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid is N/C(=N\N=C\C(=O)O)N[N+](=O)[O-].
What is the InChIKey of (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid?
The InChIKey is LPNFCWOBFPSPKN-ORCRQEGFSA-N. The full InChI is InChI=1S/C3H5N5O4/c4-3(7-8(11)12)6-5-1-2(9)10/h1H,(H,9,10)(H3,4,6,7)/b5-1+.
What are the key properties of (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid?
(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid has a molecular weight of 175.10 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid is sourced from PubChem (CID 15547784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).