4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine

C16H17N3 — CID 141114311

IUPAC4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine
SMILESCCc1nncc2c(C)n(-c3ccccc3)c(C)c12
InChIInChI=1S/C16H17N3/c1-4-15-16-12(3)19(13-8-6-5-7-9-13)11(2)14(16)10-17-18-15/h5-10H,4H2,1-3H3
InChIKeyQYCACTDUTNDWQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds2

About 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine

4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine (PubChem CID 141114311) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine
PubChem CID141114311
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine
SMILESCCc1nncc2c(C)n(-c3ccccc3)c(C)c12
InChIInChI=1S/C16H17N3/c1-4-15-16-12(3)19(13-8-6-5-7-9-13)11(2)14(16)10-17-18-15/h5-10H,4H2,1-3H3
InChIKeyQYCACTDUTNDWQJ-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine (CID 141114311) is 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine is CCc1nncc2c(C)n(-c3ccccc3)c(C)c12.
What is the InChIKey of 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The InChIKey is QYCACTDUTNDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-4-15-16-12(3)19(13-8-6-5-7-9-13)11(2)14(16)10-17-18-15/h5-10H,4H2,1-3H3.
What are the key properties of 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine?
4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine has a molecular weight of 251.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,7-dimethyl-6-phenylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 141114311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).