(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C17H18N2O2 — CID 105134407

IUPAC(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16-15(10-11(2)18-19-16)17(20)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyNHLLZDGUGUPAGC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.12
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105134407) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105134407
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16-15(10-11(2)18-19-16)17(20)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyNHLLZDGUGUPAGC-UHFFFAOYSA-N
XLogP3.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105134407) is (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1ccc(OC2CC2)cc1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is NHLLZDGUGUPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-16-15(10-11(2)18-19-16)17(20)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105134407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).