1-[amino(methyl)amino]-1-hydroxyurea

C2H8N4O2 — CID 134205110

IUPAC1-[amino(methyl)amino]-1-hydroxyurea
SMILESCN(N)N(O)C(N)=O
InChIInChI=1S/C2H8N4O2/c1-5(4)6(8)2(3)7/h8H,4H2,1H3,(H2,3,7)
InChIKeyHKXAGLBXZBRRRE-UHFFFAOYSA-N
MW120.11 g/mol
LogP-1.52
Rot. Bonds1

About 1-[amino(methyl)amino]-1-hydroxyurea

1-[amino(methyl)amino]-1-hydroxyurea (PubChem CID 134205110) has the molecular formula C2H8N4O2 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-1-hydroxyurea.

Molecular Properties

Compound Name1-[amino(methyl)amino]-1-hydroxyurea
PubChem CID134205110
Molecular FormulaC2H8N4O2
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC Name1-[amino(methyl)amino]-1-hydroxyurea
SMILESCN(N)N(O)C(N)=O
InChIInChI=1S/C2H8N4O2/c1-5(4)6(8)2(3)7/h8H,4H2,1H3,(H2,3,7)
InChIKeyHKXAGLBXZBRRRE-UHFFFAOYSA-N
XLogP-1.52
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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(methyl)amino]-1-hydroxyurea?
The IUPAC name of 1-[amino(methyl)amino]-1-hydroxyurea (CID 134205110) is 1-[amino(methyl)amino]-1-hydroxyurea.
What is the SMILES notation for 1-[amino(methyl)amino]-1-hydroxyurea?
The canonical SMILES for 1-[amino(methyl)amino]-1-hydroxyurea is CN(N)N(O)C(N)=O.
What is the InChIKey of 1-[amino(methyl)amino]-1-hydroxyurea?
The InChIKey is HKXAGLBXZBRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N4O2/c1-5(4)6(8)2(3)7/h8H,4H2,1H3,(H2,3,7).
What are the key properties of 1-[amino(methyl)amino]-1-hydroxyurea?
1-[amino(methyl)amino]-1-hydroxyurea has a molecular weight of 120.11 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-1-hydroxyurea is sourced from PubChem (CID 134205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).