[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid

C18H23ClN4O3 — CID 135282223

IUPAC[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid
SMILESCC(C)CC(C)(N)COc1ccc(-c2cnnc(NC(=O)O)c2)cc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-11(2)8-18(3,20)10-26-15-5-4-12(6-14(15)19)13-7-16(22-17(24)25)23-21-9-13/h4-7,9,11H,8,10,20H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVXRBNQGKHRLBPU-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.03
Rot. Bonds7

About [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid

[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid (PubChem CID 135282223) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid
PubChem CID135282223
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid
SMILESCC(C)CC(C)(N)COc1ccc(-c2cnnc(NC(=O)O)c2)cc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-11(2)8-18(3,20)10-26-15-5-4-12(6-14(15)19)13-7-16(22-17(24)25)23-21-9-13/h4-7,9,11H,8,10,20H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVXRBNQGKHRLBPU-UHFFFAOYSA-N
XLogP4.03
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid 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 [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid?
The IUPAC name of [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid (CID 135282223) is [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid?
The canonical SMILES for [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid is CC(C)CC(C)(N)COc1ccc(-c2cnnc(NC(=O)O)c2)cc1Cl.
What is the InChIKey of [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid?
The InChIKey is VXRBNQGKHRLBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-11(2)8-18(3,20)10-26-15-5-4-12(6-14(15)19)13-7-16(22-17(24)25)23-21-9-13/h4-7,9,11H,8,10,20H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid?
[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid has a molecular weight of 378.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 135282223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).