CID 172800195

CH6N4NaO — CID 172800195

IUPAC—
SMILESNNC(=O)NN.[Na]
InChIInChI=1S/CH6N4O.Na/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);
InChIKeyQTHQKPHKNWTZIP-UHFFFAOYSA-N
MW113.08 g/mol
LogP-2.35
Rot. Bonds

About CID 172800195

CID 172800195 (PubChem CID 172800195) has the molecular formula CH6N4NaO and a molecular weight of 113.08 g/mol.

Molecular Properties

Compound NameCID 172800195
PubChem CID172800195
Molecular FormulaCH6N4NaO
Molecular Weight113.08 g/mol
Exact Mass113.04
IUPAC Name—
SMILESNNC(=O)NN.[Na]
InChIInChI=1S/CH6N4O.Na/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);
InChIKeyQTHQKPHKNWTZIP-UHFFFAOYSA-N
XLogP-2.35
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 CID 172800195?
The IUPAC name of CID 172800195 (CID 172800195) is not available.
What is the SMILES notation for CID 172800195?
The canonical SMILES for CID 172800195 is NNC(=O)NN.[Na].
What is the InChIKey of CID 172800195?
The InChIKey is QTHQKPHKNWTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O.Na/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);.
What are the key properties of CID 172800195?
CID 172800195 has a molecular weight of 113.08 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172800195 is sourced from PubChem (CID 172800195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).