3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile

C14H14N4O2 — CID 103568468

IUPAC3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
SMILESCCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1
InChIInChI=1S/C14H14N4O2/c1-3-17-13-8-16-9-14(18-13)20-12-5-10(7-15)4-11(6-12)19-2/h4-6,8-9H,3H2,1-2H3,(H,17,18)
InChIKeyZHFCXSYRHFIPLM-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.58
Rot. Bonds5

About 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile

3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile (PubChem CID 103568468) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
PubChem CID103568468
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
SMILESCCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1
InChIInChI=1S/C14H14N4O2/c1-3-17-13-8-16-9-14(18-13)20-12-5-10(7-15)4-11(6-12)19-2/h4-6,8-9H,3H2,1-2H3,(H,17,18)
InChIKeyZHFCXSYRHFIPLM-UHFFFAOYSA-N
XLogP2.58
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile
CID 103568437
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
N-ethyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-amine
CID 80865438
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 80863080
3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568404
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 80870463
3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103568115
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile?
The IUPAC name of 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile (CID 103568468) is 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile is CCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1.
What is the InChIKey of 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile?
The InChIKey is ZHFCXSYRHFIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-17-13-8-16-9-14(18-13)20-12-5-10(7-15)4-11(6-12)19-2/h4-6,8-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile?
3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103568468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).