3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine

C19H18N2O — CID 10401969

IUPAC3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine
SMILESCC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyNMCJOUWQNLHBKF-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.60
Rot. Bonds4

About 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine

3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine (PubChem CID 10401969) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine.

Molecular Properties

Compound Name3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine
PubChem CID10401969
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine
SMILESCC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyNMCJOUWQNLHBKF-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine?
The IUPAC name of 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine (CID 10401969) is 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine.
What is the SMILES notation for 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine?
The canonical SMILES for 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine is CC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine?
The InChIKey is NMCJOUWQNLHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3.
What are the key properties of 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine?
3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine has a molecular weight of 290.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(3-propan-2-yloxyphenyl)pyridazine is sourced from PubChem (CID 10401969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).