1,1-diaminourea;ethane

C3H12N4O — CID 174870185

IUPAC1,1-diaminourea;ethane
SMILESCC.NC(=O)N(N)N
InChIInChI=1S/C2H6.CH6N4O/c1-2;2-1(6)5(3)4/h1-2H3;3-4H2,(H2,2,6)
InChIKeyZOCGMMKDSRGSPZ-UHFFFAOYSA-N
MW120.16 g/mol
LogP-0.86
Rot. Bonds

About 1,1-diaminourea;ethane

1,1-diaminourea;ethane (PubChem CID 174870185) has the molecular formula C3H12N4O and a molecular weight of 120.16 g/mol. Its IUPAC name is 1,1-diaminourea;ethane.

Molecular Properties

Compound Name1,1-diaminourea;ethane
PubChem CID174870185
Molecular FormulaC3H12N4O
Molecular Weight120.16 g/mol
Exact Mass120.10
IUPAC Name1,1-diaminourea;ethane
SMILESCC.NC(=O)N(N)N
InChIInChI=1S/C2H6.CH6N4O/c1-2;2-1(6)5(3)4/h1-2H3;3-4H2,(H2,2,6)
InChIKeyZOCGMMKDSRGSPZ-UHFFFAOYSA-N
XLogP-0.86
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
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 1,1-diaminourea;ethane?
The IUPAC name of 1,1-diaminourea;ethane (CID 174870185) is 1,1-diaminourea;ethane.
What is the SMILES notation for 1,1-diaminourea;ethane?
The canonical SMILES for 1,1-diaminourea;ethane is CC.NC(=O)N(N)N.
What is the InChIKey of 1,1-diaminourea;ethane?
The InChIKey is ZOCGMMKDSRGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH6N4O/c1-2;2-1(6)5(3)4/h1-2H3;3-4H2,(H2,2,6).
What are the key properties of 1,1-diaminourea;ethane?
1,1-diaminourea;ethane has a molecular weight of 120.16 g/mol, XLogP of -0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminourea;ethane is sourced from PubChem (CID 174870185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).