3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one

C12H12ClN3O2 — CID 55155057

IUPAC3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(CN)cc2Cl)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-16-5-4-15-11(12(16)17)18-10-3-2-8(7-14)6-9(10)13/h2-6H,7,14H2,1H3
InChIKeyBFNBTLGUYHZTOM-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.68
Rot. Bonds3

About 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one

3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one (PubChem CID 55155057) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
PubChem CID55155057
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(CN)cc2Cl)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-16-5-4-15-11(12(16)17)18-10-3-2-8(7-14)6-9(10)13/h2-6H,7,14H2,1H3
InChIKeyBFNBTLGUYHZTOM-UHFFFAOYSA-N
XLogP1.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)-2-chlorophenoxy]-1-tert-butylpyrazin-2-one
CID 62929752
3-(4-amino-2-chlorophenoxy)-1-methylpyrazin-2-one
CID 62939580
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844
3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one
CID 62938540
3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one
CID 55130983
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
CID 62940447
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
3-[4-(aminomethyl)-2-methoxyphenoxy]-1-cyclopropylpyrazin-2-one
CID 62929043
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
3-(2-iodophenoxy)-1-methylpyrazin-2-one
CID 62939733
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one (CID 55155057) is 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one is Cn1ccnc(Oc2ccc(CN)cc2Cl)c1=O.
What is the InChIKey of 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one?
The InChIKey is BFNBTLGUYHZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16-5-4-15-11(12(16)17)18-10-3-2-8(7-14)6-9(10)13/h2-6H,7,14H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one?
3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one has a molecular weight of 265.70 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one is sourced from PubChem (CID 55155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).