2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one

C21H31N5O2 — CID 14726394

IUPAC2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2)CC1
InChIInChI=1S/C21H31N5O2/c1-21(2,3)26-20(27)15-17(16-23-26)22-9-10-24-11-13-25(14-12-24)18-7-5-6-8-19(18)28-4/h5-8,15-16,22H,9-14H2,1-4H3
InChIKeyYXJHLHPHXZIXOS-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.24
Rot. Bonds6

About 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one

2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one (PubChem CID 14726394) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
PubChem CID14726394
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2)CC1
InChIInChI=1S/C21H31N5O2/c1-21(2,3)26-20(27)15-17(16-23-26)22-9-10-24-11-13-25(14-12-24)18-7-5-6-8-19(18)28-4/h5-8,15-16,22H,9-14H2,1-4H3
InChIKeyYXJHLHPHXZIXOS-UHFFFAOYSA-N
XLogP2.24
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726392
2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726283
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
CID 68626819
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one (CID 14726394) is 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one is COc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2)CC1.
What is the InChIKey of 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The InChIKey is YXJHLHPHXZIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-21(2,3)26-20(27)15-17(16-23-26)22-9-10-24-11-13-25(14-12-24)18-7-5-6-8-19(18)28-4/h5-8,15-16,22H,9-14H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one has a molecular weight of 385.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 14726394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).