3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

C17H24N6O2 — CID 128997729

IUPAC3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1cc(N2CCOC(CN(C)c3nccn(C)c3=O)C2)nnc1C
InChIInChI=1S/C17H24N6O2/c1-12-9-15(20-19-13(12)2)23-7-8-25-14(11-23)10-22(4)16-17(24)21(3)6-5-18-16/h5-6,9,14H,7-8,10-11H2,1-4H3
InChIKeyRPCAJMOBDQYPDS-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.53
Rot. Bonds4

About 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (PubChem CID 128997729) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
PubChem CID128997729
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1cc(N2CCOC(CN(C)c3nccn(C)c3=O)C2)nnc1C
InChIInChI=1S/C17H24N6O2/c1-12-9-15(20-19-13(12)2)23-7-8-25-14(11-23)10-22(4)16-17(24)21(3)6-5-18-16/h5-6,9,14H,7-8,10-11H2,1-4H3
InChIKeyRPCAJMOBDQYPDS-UHFFFAOYSA-N
XLogP0.53
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (CID 128997729) is 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is Cc1cc(N2CCOC(CN(C)c3nccn(C)c3=O)C2)nnc1C.
What is the InChIKey of 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The InChIKey is RPCAJMOBDQYPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-9-15(20-19-13(12)2)23-7-8-25-14(11-23)10-22(4)16-17(24)21(3)6-5-18-16/h5-6,9,14H,7-8,10-11H2,1-4H3.
What are the key properties of 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 128997729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).