3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one

C15H17N3O3 — CID 62929043

IUPAC3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one
SMILESCOc1cc(CN)ccc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C15H17N3O3/c1-20-13-8-10(9-16)2-5-12(13)21-14-15(19)18(7-6-17-14)11-3-4-11/h2,5-8,11H,3-4,9,16H2,1H3
InChIKeyXQOGHAVDEFWWNZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.84
Rot. Bonds5

About 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one

3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one (PubChem CID 62929043) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one
PubChem CID62929043
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one
SMILESCOc1cc(CN)ccc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C15H17N3O3/c1-20-13-8-10(9-16)2-5-12(13)21-14-15(19)18(7-6-17-14)11-3-4-11/h2,5-8,11H,3-4,9,16H2,1H3
InChIKeyXQOGHAVDEFWWNZ-UHFFFAOYSA-N
XLogP1.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one (CID 62929043) is 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one is COc1cc(CN)ccc1Oc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one?
The InChIKey is XQOGHAVDEFWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-8-10(9-16)2-5-12(13)21-14-15(19)18(7-6-17-14)11-3-4-11/h2,5-8,11H,3-4,9,16H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one?
3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62929043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).