1-amino-1-(hydrazinylmethyl)urea

C2H9N5O — CID 139339584

IUPAC1-amino-1-(hydrazinylmethyl)urea
SMILESNNCN(N)C(N)=O
InChIInChI=1S/C2H9N5O/c3-2(8)7(5)1-6-4/h6H,1,4-5H2,(H2,3,8)
InChIKeyGDKGMCXJLKVSMI-UHFFFAOYSA-N
MW119.13 g/mol
LogP-2.34
Rot. Bonds2

About 1-amino-1-(hydrazinylmethyl)urea

1-amino-1-(hydrazinylmethyl)urea (PubChem CID 139339584) has the molecular formula C2H9N5O and a molecular weight of 119.13 g/mol. Its IUPAC name is 1-amino-1-(hydrazinylmethyl)urea.

Molecular Properties

Compound Name1-amino-1-(hydrazinylmethyl)urea
PubChem CID139339584
Molecular FormulaC2H9N5O
Molecular Weight119.13 g/mol
Exact Mass119.08
IUPAC Name1-amino-1-(hydrazinylmethyl)urea
SMILESNNCN(N)C(N)=O
InChIInChI=1S/C2H9N5O/c3-2(8)7(5)1-6-4/h6H,1,4-5H2,(H2,3,8)
InChIKeyGDKGMCXJLKVSMI-UHFFFAOYSA-N
XLogP-2.34
TPSA110.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 1-amino-1-(hydrazinylmethyl)urea?
The IUPAC name of 1-amino-1-(hydrazinylmethyl)urea (CID 139339584) is 1-amino-1-(hydrazinylmethyl)urea.
What is the SMILES notation for 1-amino-1-(hydrazinylmethyl)urea?
The canonical SMILES for 1-amino-1-(hydrazinylmethyl)urea is NNCN(N)C(N)=O.
What is the InChIKey of 1-amino-1-(hydrazinylmethyl)urea?
The InChIKey is GDKGMCXJLKVSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N5O/c3-2(8)7(5)1-6-4/h6H,1,4-5H2,(H2,3,8).
What are the key properties of 1-amino-1-(hydrazinylmethyl)urea?
1-amino-1-(hydrazinylmethyl)urea has a molecular weight of 119.13 g/mol, XLogP of -2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(hydrazinylmethyl)urea is sourced from PubChem (CID 139339584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).