1-amino-3-(propan-2-ylideneamino)urea

C4H10N4O — CID 5325573

IUPAC1-amino-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)NN
InChIInChI=1S/C4H10N4O/c1-3(2)7-8-4(9)6-5/h5H2,1-2H3,(H2,6,8,9)
InChIKeyNPARDCFVZIQGGF-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.44
Rot. Bonds1

About 1-amino-3-(propan-2-ylideneamino)urea

1-amino-3-(propan-2-ylideneamino)urea (PubChem CID 5325573) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-amino-3-(propan-2-ylideneamino)urea.

Molecular Properties

Compound Name1-amino-3-(propan-2-ylideneamino)urea
PubChem CID5325573
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name1-amino-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)NN
InChIInChI=1S/C4H10N4O/c1-3(2)7-8-4(9)6-5/h5H2,1-2H3,(H2,6,8,9)
InChIKeyNPARDCFVZIQGGF-UHFFFAOYSA-N
XLogP-0.44
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.44
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': 'imine_1', '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-3-(propan-2-ylideneamino)urea?
The IUPAC name of 1-amino-3-(propan-2-ylideneamino)urea (CID 5325573) is 1-amino-3-(propan-2-ylideneamino)urea.
What is the SMILES notation for 1-amino-3-(propan-2-ylideneamino)urea?
The canonical SMILES for 1-amino-3-(propan-2-ylideneamino)urea is CC(C)=NNC(=O)NN.
What is the InChIKey of 1-amino-3-(propan-2-ylideneamino)urea?
The InChIKey is NPARDCFVZIQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c1-3(2)7-8-4(9)6-5/h5H2,1-2H3,(H2,6,8,9).
What are the key properties of 1-amino-3-(propan-2-ylideneamino)urea?
1-amino-3-(propan-2-ylideneamino)urea has a molecular weight of 130.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(propan-2-ylideneamino)urea is sourced from PubChem (CID 5325573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).