3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C13H15N5O2 — CID 110104628

IUPAC3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1
InChIInChI=1S/C13H15N5O2/c1-8-6-14-12(15-8)9-4-5-18(7-9)13(20)10-2-3-11(19)17-16-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)(H,17,19)
InChIKeyRHNGWJFGLYOAEU-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.43
Rot. Bonds2

About 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110104628) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110104628
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1
InChIInChI=1S/C13H15N5O2/c1-8-6-14-12(15-8)9-4-5-18(7-9)13(20)10-2-3-11(19)17-16-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)(H,17,19)
InChIKeyRHNGWJFGLYOAEU-UHFFFAOYSA-N
XLogP0.43
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 110104628) is 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is Cc1cnc(C2CCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1.
What is the InChIKey of 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is RHNGWJFGLYOAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-6-14-12(15-8)9-4-5-18(7-9)13(20)10-2-3-11(19)17-16-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)(H,17,19).
What are the key properties of 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 273.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110104628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).