3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine

C17H22N2 — CID 167266727

IUPAC3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine
SMILESCC(Cc1ccccc1)Cc1ccc(C(C)C)nn1
InChIInChI=1S/C17H22N2/c1-13(2)17-10-9-16(18-19-17)12-14(3)11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRXEATWYGOSTRBL-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.02
Rot. Bonds5

About 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine

3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine (PubChem CID 167266727) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine
PubChem CID167266727
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine
SMILESCC(Cc1ccccc1)Cc1ccc(C(C)C)nn1
InChIInChI=1S/C17H22N2/c1-13(2)17-10-9-16(18-19-17)12-14(3)11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRXEATWYGOSTRBL-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine (CID 167266727) is 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine is CC(Cc1ccccc1)Cc1ccc(C(C)C)nn1.
What is the InChIKey of 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine?
The InChIKey is RXEATWYGOSTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17-10-9-16(18-19-17)12-14(3)11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine?
3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine has a molecular weight of 254.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-phenylpropyl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 167266727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).