3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile

C15H16N4O2 — CID 103568437

IUPAC3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile
SMILESCCCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1
InChIInChI=1S/C15H16N4O2/c1-3-4-18-14-9-17-10-15(19-14)21-13-6-11(8-16)5-12(7-13)20-2/h5-7,9-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyTVUBSLOUXNRLQN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.97
Rot. Bonds6

About 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile

3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile (PubChem CID 103568437) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile
PubChem CID103568437
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile
SMILESCCCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1
InChIInChI=1S/C15H16N4O2/c1-3-4-18-14-9-17-10-15(19-14)21-13-6-11(8-16)5-12(7-13)20-2/h5-7,9-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyTVUBSLOUXNRLQN-UHFFFAOYSA-N
XLogP2.97
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
CID 103568468
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
6-(2-methoxyphenoxy)-N-propylpyrazin-2-amine
CID 80869118
6-(2,6-dimethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80865135
6-[(6-methyl-3-pyridinyl)oxy]-N-propylpyrazin-2-amine
CID 80873646
3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
CID 104850186
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
2-[4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]ethanol
CID 107710246
[3-methoxy-4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]methanol
CID 107745067
6-(2-ethylphenoxy)-N-propylpyrazin-2-amine
CID 80875740
6-chloro-N-propylpyrazin-2-amine
CID 26370207
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile?
The IUPAC name of 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile (CID 103568437) is 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile.
What is the SMILES notation for 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile?
The canonical SMILES for 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile is CCCNc1cncc(Oc2cc(C#N)cc(OC)c2)n1.
What is the InChIKey of 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile?
The InChIKey is TVUBSLOUXNRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-4-18-14-9-17-10-15(19-14)21-13-6-11(8-16)5-12(7-13)20-2/h5-7,9-10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile?
3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile is sourced from PubChem (CID 103568437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).