4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one

C18H25N5O2S — CID 120808919

IUPAC4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C18H25N5O2S/c1-10-11(2)21-22(5)16(24)13(10)15-20-12(3)14(26-15)17(25)23-7-6-18(4,8-19)9-23/h6-9,19H2,1-5H3
InChIKeyVULIZRPVVSXSOU-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.64
Rot. Bonds3

About 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one

4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one (PubChem CID 120808919) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
PubChem CID120808919
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C18H25N5O2S/c1-10-11(2)21-22(5)16(24)13(10)15-20-12(3)14(26-15)17(25)23-7-6-18(4,8-19)9-23/h6-9,19H2,1-5H3
InChIKeyVULIZRPVVSXSOU-UHFFFAOYSA-N
XLogP1.64
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The IUPAC name of 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one (CID 120808919) is 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one.
What is the SMILES notation for 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The canonical SMILES for 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The InChIKey is VULIZRPVVSXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-10-11(2)21-22(5)16(24)13(10)15-20-12(3)14(26-15)17(25)23-7-6-18(4,8-19)9-23/h6-9,19H2,1-5H3.
What are the key properties of 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one has a molecular weight of 375.50 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one is sourced from PubChem (CID 120808919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).