2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H13N5O2 — CID 66272386

IUPAC2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(N)cc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C13H13N5O2/c1-20-11-3-2-10(14)6-9(11)8-18-13(19)17-5-4-15-7-12(17)16-18/h2-7H,8,14H2,1H3
InChIKeyMNSQLVBFFOEDAS-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.53
Rot. Bonds3

About 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272386) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272386
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(N)cc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C13H13N5O2/c1-20-11-3-2-10(14)6-9(11)8-18-13(19)17-5-4-15-7-12(17)16-18/h2-7H,8,14H2,1H3
InChIKeyMNSQLVBFFOEDAS-UHFFFAOYSA-N
XLogP0.53
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272386) is 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(N)cc1Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is MNSQLVBFFOEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-20-11-3-2-10(14)6-9(11)8-18-13(19)17-5-4-15-7-12(17)16-18/h2-7H,8,14H2,1H3.
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 271.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).