(1-aminoethylideneamino)urea

C3H8N4O — CID 85436939

IUPAC(1-aminoethylideneamino)urea
SMILESCC(N)=NNC(N)=O
InChIInChI=1S/C3H8N4O/c1-2(4)6-7-3(5)8/h1H3,(H2,4,6)(H3,5,7,8)
InChIKeyFTYIMJLJOHRDQI-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.05
Rot. Bonds1

About (1-aminoethylideneamino)urea

(1-aminoethylideneamino)urea (PubChem CID 85436939) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is (1-aminoethylideneamino)urea.

Molecular Properties

Compound Name(1-aminoethylideneamino)urea
PubChem CID85436939
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Name(1-aminoethylideneamino)urea
SMILESCC(N)=NNC(N)=O
InChIInChI=1S/C3H8N4O/c1-2(4)6-7-3(5)8/h1H3,(H2,4,6)(H3,5,7,8)
InChIKeyFTYIMJLJOHRDQI-UHFFFAOYSA-N
XLogP-1.05
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-aminoethylideneamino)urea?
The IUPAC name of (1-aminoethylideneamino)urea (CID 85436939) is (1-aminoethylideneamino)urea.
What is the SMILES notation for (1-aminoethylideneamino)urea?
The canonical SMILES for (1-aminoethylideneamino)urea is CC(N)=NNC(N)=O.
What is the InChIKey of (1-aminoethylideneamino)urea?
The InChIKey is FTYIMJLJOHRDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O/c1-2(4)6-7-3(5)8/h1H3,(H2,4,6)(H3,5,7,8).
What are the key properties of (1-aminoethylideneamino)urea?
(1-aminoethylideneamino)urea has a molecular weight of 116.12 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminoethylideneamino)urea is sourced from PubChem (CID 85436939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).