6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C19H28N6O2 — CID 126914050

IUPAC6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCn1ccnc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)c1=O
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-5-6-16(26)25(21-15)14-11-23-9-12-24(13-10-23)17-18(27)22(4)8-7-20-17/h5-8H,9-14H2,1-4H3
InChIKeyPRMBECGKUUCTGK-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.46
Rot. Bonds4

About 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914050) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126914050
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCn1ccnc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)c1=O
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-5-6-16(26)25(21-15)14-11-23-9-12-24(13-10-23)17-18(27)22(4)8-7-20-17/h5-8H,9-14H2,1-4H3
InChIKeyPRMBECGKUUCTGK-UHFFFAOYSA-N
XLogP0.46
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914050) is 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cn1ccnc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)c1=O.
What is the InChIKey of 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is PRMBECGKUUCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)15-5-6-16(26)25(21-15)14-11-23-9-12-24(13-10-23)17-18(27)22(4)8-7-20-17/h5-8H,9-14H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 372.47 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).