hydrazinylmethanediol

CH6N2O2 — CID 139720558

IUPAChydrazinylmethanediol
SMILESNNC(O)O
InChIInChI=1S/CH6N2O2/c2-3-1(4)5/h1,3-5H,2H2
InChIKeyCCQWWLDVZRCVIB-UHFFFAOYSA-N
MW78.07 g/mol
LogP-2.28
Rot. Bonds1

About hydrazinylmethanediol

hydrazinylmethanediol (PubChem CID 139720558) has the molecular formula CH6N2O2 and a molecular weight of 78.07 g/mol. Its IUPAC name is hydrazinylmethanediol.

Molecular Properties

Compound Namehydrazinylmethanediol
PubChem CID139720558
Molecular FormulaCH6N2O2
Molecular Weight78.07 g/mol
Exact Mass78.04
IUPAC Namehydrazinylmethanediol
SMILESNNC(O)O
InChIInChI=1S/CH6N2O2/c2-3-1(4)5/h1,3-5H,2H2
InChIKeyCCQWWLDVZRCVIB-UHFFFAOYSA-N
XLogP-2.28
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.07
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 hydrazinylmethanediol?
The IUPAC name of hydrazinylmethanediol (CID 139720558) is hydrazinylmethanediol.
What is the SMILES notation for hydrazinylmethanediol?
The canonical SMILES for hydrazinylmethanediol is NNC(O)O.
What is the InChIKey of hydrazinylmethanediol?
The InChIKey is CCQWWLDVZRCVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O2/c2-3-1(4)5/h1,3-5H,2H2.
What are the key properties of hydrazinylmethanediol?
hydrazinylmethanediol has a molecular weight of 78.07 g/mol, XLogP of -2.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinylmethanediol is sourced from PubChem (CID 139720558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).