[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C15H15ClN4O — CID 109111996

IUPAC[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCCC1
InChIInChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-14-8-7-13(18-19-14)15(21)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,19)
InChIKeyBYIAIVRXSGSTFD-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.11
Rot. Bonds3

About [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111996) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111996
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCCC1
InChIInChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-14-8-7-13(18-19-14)15(21)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,19)
InChIKeyBYIAIVRXSGSTFD-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
methyl 4-chloro-3-[[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109112030
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112053
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111996) is [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCCC1.
What is the InChIKey of [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BYIAIVRXSGSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-14-8-7-13(18-19-14)15(21)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,19).
What are the key properties of [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 302.76 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).