1-amino-3-propan-2-ylurea;hydrochloride

C4H12ClN3O — CID 13157242

IUPAC1-amino-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)NN.Cl
InChIInChI=1S/C4H11N3O.ClH/c1-3(2)6-4(8)7-5;/h3H,5H2,1-2H3,(H2,6,7,8);1H
InChIKeyUBSIFDUFSCERFT-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.01
Rot. Bonds1

About 1-amino-3-propan-2-ylurea;hydrochloride

1-amino-3-propan-2-ylurea;hydrochloride (PubChem CID 13157242) has the molecular formula C4H12ClN3O and a molecular weight of 153.61 g/mol. Its IUPAC name is 1-amino-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-propan-2-ylurea;hydrochloride
PubChem CID13157242
Molecular FormulaC4H12ClN3O
Molecular Weight153.61 g/mol
Exact Mass153.07
IUPAC Name1-amino-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)NN.Cl
InChIInChI=1S/C4H11N3O.ClH/c1-3(2)6-4(8)7-5;/h3H,5H2,1-2H3,(H2,6,7,8);1H
InChIKeyUBSIFDUFSCERFT-UHFFFAOYSA-N
XLogP-0.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-amino-3-propan-2-ylurea;hydrochloride?
The IUPAC name of 1-amino-3-propan-2-ylurea;hydrochloride (CID 13157242) is 1-amino-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for 1-amino-3-propan-2-ylurea;hydrochloride?
The canonical SMILES for 1-amino-3-propan-2-ylurea;hydrochloride is CC(C)NC(=O)NN.Cl.
What is the InChIKey of 1-amino-3-propan-2-ylurea;hydrochloride?
The InChIKey is UBSIFDUFSCERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.ClH/c1-3(2)6-4(8)7-5;/h3H,5H2,1-2H3,(H2,6,7,8);1H.
What are the key properties of 1-amino-3-propan-2-ylurea;hydrochloride?
1-amino-3-propan-2-ylurea;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 13157242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).