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

C21H30ClN5O2 — CID 14726283

IUPAC2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2Cl)CC1
InChIInChI=1S/C21H30ClN5O2/c1-21(2,3)27-20(28)19(22)16(15-24-27)23-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,15,23H,9-14H2,1-4H3
InChIKeyDDGFVUPKVOLLJP-UHFFFAOYSA-N
MW419.96 g/mol
LogP2.89
Rot. Bonds6

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

2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one (PubChem CID 14726283) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
PubChem CID14726283
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2Cl)CC1
InChIInChI=1S/C21H30ClN5O2/c1-21(2,3)27-20(28)19(22)16(15-24-27)23-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,15,23H,9-14H2,1-4H3
InChIKeyDDGFVUPKVOLLJP-UHFFFAOYSA-N
XLogP2.89
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 52.89
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-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726394
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
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one (CID 14726283) is 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one is COc1ccccc1N1CCN(CCNc2cnn(C(C)(C)C)c(=O)c2Cl)CC1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
The InChIKey is DDGFVUPKVOLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O2/c1-21(2,3)27-20(28)19(22)16(15-24-27)23-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,15,23H,9-14H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one has a molecular weight of 419.96 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 14726283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).