1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea

C8H12ClN5O — CID 6415358

IUPAC1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN5O/c1-5(2)10-8(15)14-13-7-4-3-6(9)11-12-7/h3-5H,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyRHPBQEAWBCCFNU-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.16
Rot. Bonds3

About 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea

1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea (PubChem CID 6415358) has the molecular formula C8H12ClN5O and a molecular weight of 229.67 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea
PubChem CID6415358
Molecular FormulaC8H12ClN5O
Molecular Weight229.67 g/mol
Exact Mass229.07
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN5O/c1-5(2)10-8(15)14-13-7-4-3-6(9)11-12-7/h3-5H,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyRHPBQEAWBCCFNU-UHFFFAOYSA-N
XLogP1.16
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea (CID 6415358) is 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea is CC(C)NC(=O)NNc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea?
The InChIKey is RHPBQEAWBCCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O/c1-5(2)10-8(15)14-13-7-4-3-6(9)11-12-7/h3-5H,1-2H3,(H,12,13)(H2,10,14,15).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea?
1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea has a molecular weight of 229.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-3-propan-2-ylurea is sourced from PubChem (CID 6415358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).