2-anilino-N-pyridazin-3-ylacetamide

C12H12N4O — CID 116786848

IUPAC2-anilino-N-pyridazin-3-ylacetamide
SMILESO=C(CNc1ccccc1)Nc1cccnn1
InChIInChI=1S/C12H12N4O/c17-12(15-11-7-4-8-14-16-11)9-13-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16,17)
InChIKeyDGTLJJFURQHXTP-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.53
Rot. Bonds4

About 2-anilino-N-pyridazin-3-ylacetamide

2-anilino-N-pyridazin-3-ylacetamide (PubChem CID 116786848) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-anilino-N-pyridazin-3-ylacetamide.

Molecular Properties

Compound Name2-anilino-N-pyridazin-3-ylacetamide
PubChem CID116786848
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-anilino-N-pyridazin-3-ylacetamide
SMILESO=C(CNc1ccccc1)Nc1cccnn1
InChIInChI=1S/C12H12N4O/c17-12(15-11-7-4-8-14-16-11)9-13-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16,17)
InChIKeyDGTLJJFURQHXTP-UHFFFAOYSA-N
XLogP1.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
CID 116786341
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
N-phenylpyridazine-3-carboxamide
CID 23633015
2-anilino-N-(6-chloro-3-pyridinyl)acetamide
CID 81489216
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-anilino-N-(3,4,5-trifluorophenyl)acetamide
CID 62811643

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-pyridazin-3-ylacetamide?
The IUPAC name of 2-anilino-N-pyridazin-3-ylacetamide (CID 116786848) is 2-anilino-N-pyridazin-3-ylacetamide.
What is the SMILES notation for 2-anilino-N-pyridazin-3-ylacetamide?
The canonical SMILES for 2-anilino-N-pyridazin-3-ylacetamide is O=C(CNc1ccccc1)Nc1cccnn1.
What is the InChIKey of 2-anilino-N-pyridazin-3-ylacetamide?
The InChIKey is DGTLJJFURQHXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12(15-11-7-4-8-14-16-11)9-13-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16,17).
What are the key properties of 2-anilino-N-pyridazin-3-ylacetamide?
2-anilino-N-pyridazin-3-ylacetamide has a molecular weight of 228.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-pyridazin-3-ylacetamide is sourced from PubChem (CID 116786848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).