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

C14H16ClN3O2 — CID 102724747

IUPAC3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Oc2ccc(CN)c(Cl)c2)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-6-18-7-5-17-13(14(18)19)20-11-4-3-10(9-16)12(15)8-11/h3-5,7-8H,2,6,9,16H2,1H3
InChIKeyNASXHSIQAQXUPL-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.56
Rot. Bonds5

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

3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one (PubChem CID 102724747) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
PubChem CID102724747
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Oc2ccc(CN)c(Cl)c2)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-6-18-7-5-17-13(14(18)19)20-11-4-3-10(9-16)12(15)8-11/h3-5,7-8H,2,6,9,16H2,1H3
InChIKeyNASXHSIQAQXUPL-UHFFFAOYSA-N
XLogP2.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
CID 102703068
3-(4-amino-3-chlorophenoxy)-1-(2-methylpropyl)pyrazin-2-one
CID 62929174
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
3-(2-amino-3-methylphenoxy)-1-propylpyrazin-2-one
CID 55157571
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
CID 55155057
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258
3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one
CID 63759006
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one (CID 102724747) is 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one is CCCn1ccnc(Oc2ccc(CN)c(Cl)c2)c1=O.
What is the InChIKey of 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one?
The InChIKey is NASXHSIQAQXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-6-18-7-5-17-13(14(18)19)20-11-4-3-10(9-16)12(15)8-11/h3-5,7-8H,2,6,9,16H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one?
3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one has a molecular weight of 293.75 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one is sourced from PubChem (CID 102724747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).