[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride

C4H11ClN4O — CID 5485776

IUPAC[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride
SMILESC/C(CN)=N/NC(N)=O.Cl
InChIInChI=1S/C4H10N4O.ClH/c1-3(2-5)7-8-4(6)9;/h2,5H2,1H3,(H3,6,8,9);1H/b7-3-;
InChIKeyWZESQWRLBZHZEH-WYLUAFJRSA-N
MW166.61 g/mol
LogP-0.59
Rot. Bonds2

About [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride

[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride (PubChem CID 5485776) has the molecular formula C4H11ClN4O and a molecular weight of 166.61 g/mol. Its IUPAC name is [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride.

Molecular Properties

Compound Name[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride
PubChem CID5485776
Molecular FormulaC4H11ClN4O
Molecular Weight166.61 g/mol
Exact Mass166.06
IUPAC Name[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride
SMILESC/C(CN)=N/NC(N)=O.Cl
InChIInChI=1S/C4H10N4O.ClH/c1-3(2-5)7-8-4(6)9;/h2,5H2,1H3,(H3,6,8,9);1H/b7-3-;
InChIKeyWZESQWRLBZHZEH-WYLUAFJRSA-N
XLogP-0.59
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride?
The IUPAC name of [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride (CID 5485776) is [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride.
What is the SMILES notation for [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride?
The canonical SMILES for [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride is C/C(CN)=N/NC(N)=O.Cl.
What is the InChIKey of [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride?
The InChIKey is WZESQWRLBZHZEH-WYLUAFJRSA-N. The full InChI is InChI=1S/C4H10N4O.ClH/c1-3(2-5)7-8-4(6)9;/h2,5H2,1H3,(H3,6,8,9);1H/b7-3-;.
What are the key properties of [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride?
[(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-aminopropan-2-ylideneamino]urea;hydrochloride is sourced from PubChem (CID 5485776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).