3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine

C19H17ClN2 — CID 59867515

IUPAC3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine
SMILESClc1nnc(-c2ccccc2)cc1CCCc1ccccc1
InChIInChI=1S/C19H17ClN2/c20-19-17(13-7-10-15-8-3-1-4-9-15)14-18(21-22-19)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2
InChIKeyKTTRMVVQQKFHOJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.97
Rot. Bonds5

About 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine

3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine (PubChem CID 59867515) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine
PubChem CID59867515
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine
SMILESClc1nnc(-c2ccccc2)cc1CCCc1ccccc1
InChIInChI=1S/C19H17ClN2/c20-19-17(13-7-10-15-8-3-1-4-9-15)14-18(21-22-19)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2
InChIKeyKTTRMVVQQKFHOJ-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine?
The IUPAC name of 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine (CID 59867515) is 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine.
What is the SMILES notation for 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine?
The canonical SMILES for 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine is Clc1nnc(-c2ccccc2)cc1CCCc1ccccc1.
What is the InChIKey of 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine?
The InChIKey is KTTRMVVQQKFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c20-19-17(13-7-10-15-8-3-1-4-9-15)14-18(21-22-19)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2.
What are the key properties of 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine?
3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine has a molecular weight of 308.81 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine is sourced from PubChem (CID 59867515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).