5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one

C15H18ClN3O2 — CID 51097855

IUPAC5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one
SMILESCOc1ccccc1C(C)(C)CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-15(2,10-6-4-5-7-12(10)21-3)9-17-11-8-18-19-14(20)13(11)16/h4-8H,9H2,1-3H3,(H2,17,19,20)
InChIKeyDHZKFVWEUFSDBN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.82
Rot. Bonds5

About 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one (PubChem CID 51097855) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one
PubChem CID51097855
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one
SMILESCOc1ccccc1C(C)(C)CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-15(2,10-6-4-5-7-12(10)21-3)9-17-11-8-18-19-14(20)13(11)16/h4-8H,9H2,1-3H3,(H2,17,19,20)
InChIKeyDHZKFVWEUFSDBN-UHFFFAOYSA-N
XLogP2.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one (CID 51097855) is 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one is COc1ccccc1C(C)(C)CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one?
The InChIKey is DHZKFVWEUFSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,10-6-4-5-7-12(10)21-3)9-17-11-8-18-19-14(20)13(11)16/h4-8H,9H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one has a molecular weight of 307.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-(2-methoxyphenyl)-2-methylpropyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 51097855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).