5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one

C13H13N5O — CID 116973198

IUPAC5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1
InChIInChI=1S/C13H13N5O/c1-2-14-12-6-5-9(17-18-12)8-3-4-10-11(7-8)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyRBTKJOJYLJNJOE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds3

About 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one

5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116973198) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116973198
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1
InChIInChI=1S/C13H13N5O/c1-2-14-12-6-5-9(17-18-12)8-3-4-10-11(7-8)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyRBTKJOJYLJNJOE-UHFFFAOYSA-N
XLogP1.75
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 53496350
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
N-ethyl-6-(6-methoxynaphthalen-2-yl)pyridazin-3-amine
CID 62785536
6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
CID 116973196
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
N-ethyl-6-(2,3,5,6-tetramethylphenyl)pyridazin-3-amine
CID 116973176
6-(2,4-dimethylphenyl)-N-ethylpyridazin-3-amine
CID 62204080
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 116973198) is 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one is CCNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1.
What is the InChIKey of 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RBTKJOJYLJNJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-14-12-6-5-9(17-18-12)8-3-4-10-11(7-8)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,19).
What are the key properties of 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116973198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).