5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

C17H21N5O3 — CID 146124974

IUPAC5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCOc1ccnc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-11-12(2)19-20-16(23)15(11)17(24)22-8-6-21(7-9-22)14-10-13(25-3)4-5-18-14/h4-5,10H,6-9H2,1-3H3,(H,20,23)
InChIKeyHNGCNGRJGSDUPS-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.75
Rot. Bonds3

About 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 146124974) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID146124974
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCOc1ccnc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-11-12(2)19-20-16(23)15(11)17(24)22-8-6-21(7-9-22)14-10-13(25-3)4-5-18-14/h4-5,10H,6-9H2,1-3H3,(H,20,23)
InChIKeyHNGCNGRJGSDUPS-UHFFFAOYSA-N
XLogP0.75
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (CID 146124974) is 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is COc1ccnc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1.
What is the InChIKey of 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is HNGCNGRJGSDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-12(2)19-20-16(23)15(11)17(24)22-8-6-21(7-9-22)14-10-13(25-3)4-5-18-14/h4-5,10H,6-9H2,1-3H3,(H,20,23).
What are the key properties of 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 343.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 146124974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).