2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile

C17H18N4O2 — CID 42624820

IUPAC2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile
SMILESCOc1ccc(C(C#N)c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-14-4-2-13(3-5-14)15(12-18)16-6-7-17(20-19-16)21-8-10-23-11-9-21/h2-7,15H,8-11H2,1H3
InChIKeyWVJZUBGCJKXUFP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile

2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile (PubChem CID 42624820) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile
PubChem CID42624820
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile
SMILESCOc1ccc(C(C#N)c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-14-4-2-13(3-5-14)15(12-18)16-6-7-17(20-19-16)21-8-10-23-11-9-21/h2-7,15H,8-11H2,1H3
InChIKeyWVJZUBGCJKXUFP-UHFFFAOYSA-N
XLogP1.98
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile (CID 42624820) is 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile is COc1ccc(C(C#N)c2ccc(N3CCOCC3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile?
The InChIKey is WVJZUBGCJKXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-14-4-2-13(3-5-14)15(12-18)16-6-7-17(20-19-16)21-8-10-23-11-9-21/h2-7,15H,8-11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile?
2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile is sourced from PubChem (CID 42624820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).