6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C16H19N5O2 — CID 110103740

IUPAC6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccnc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
InChIInChI=1S/C16H19N5O2/c1-11-5-7-17-16(18-11)13-6-8-20(9-13)15(23)10-21-14(22)4-3-12(2)19-21/h3-5,7,13H,6,8-10H2,1-2H3
InChIKeyBULZOAYYCNDXGC-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.67
Rot. Bonds3

About 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 110103740) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID110103740
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccnc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
InChIInChI=1S/C16H19N5O2/c1-11-5-7-17-16(18-11)13-6-8-20(9-13)15(23)10-21-14(22)4-3-12(2)19-21/h3-5,7,13H,6,8-10H2,1-2H3
InChIKeyBULZOAYYCNDXGC-UHFFFAOYSA-N
XLogP0.67
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-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

2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-(2-methylbenzimidazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 175652470
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
3-cyclohexyl-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246565
6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 125027057
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
3-(benzotriazol-1-yl)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125025012
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 110103740) is 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1ccnc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1.
What is the InChIKey of 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is BULZOAYYCNDXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-5-7-17-16(18-11)13-6-8-20(9-13)15(23)10-21-14(22)4-3-12(2)19-21/h3-5,7,13H,6,8-10H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 110103740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).