4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine

C16H20N2O — CID 118445654

IUPAC4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine
SMILESCc1cc(OC(C)(C)C)ccc1-c1cnncc1C
InChIInChI=1S/C16H20N2O/c1-11-8-13(19-16(3,4)5)6-7-14(11)15-10-18-17-9-12(15)2/h6-10H,1-5H3
InChIKeyNVLGQMQQDPVPSV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.94
Rot. Bonds2

About 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine

4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine (PubChem CID 118445654) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine.

Molecular Properties

Compound Name4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine
PubChem CID118445654
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine
SMILESCc1cc(OC(C)(C)C)ccc1-c1cnncc1C
InChIInChI=1S/C16H20N2O/c1-11-8-13(19-16(3,4)5)6-7-14(11)15-10-18-17-9-12(15)2/h6-10H,1-5H3
InChIKeyNVLGQMQQDPVPSV-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine?
The IUPAC name of 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine (CID 118445654) is 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine.
What is the SMILES notation for 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine?
The canonical SMILES for 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine is Cc1cc(OC(C)(C)C)ccc1-c1cnncc1C.
What is the InChIKey of 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine?
The InChIKey is NVLGQMQQDPVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-13(19-16(3,4)5)6-7-14(11)15-10-18-17-9-12(15)2/h6-10H,1-5H3.
What are the key properties of 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine?
4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine has a molecular weight of 256.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine is sourced from PubChem (CID 118445654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).