[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine

C18H16N6O — CID 22298906

IUPAC[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine
SMILESCOc1ccc(-c2cc(C(N)c3ccccn3)n3ncnc3n2)cc1
InChIInChI=1S/C18H16N6O/c1-25-13-7-5-12(6-8-13)15-10-16(24-18(23-15)21-11-22-24)17(19)14-4-2-3-9-20-14/h2-11,17H,19H2,1H3
InChIKeyCJCSJJSPZMSDTP-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.24
Rot. Bonds4

About [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine

[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine (PubChem CID 22298906) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine
PubChem CID22298906
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine
SMILESCOc1ccc(-c2cc(C(N)c3ccccn3)n3ncnc3n2)cc1
InChIInChI=1S/C18H16N6O/c1-25-13-7-5-12(6-8-13)15-10-16(24-18(23-15)21-11-22-24)17(19)14-4-2-3-9-20-14/h2-11,17H,19H2,1H3
InChIKeyCJCSJJSPZMSDTP-UHFFFAOYSA-N
XLogP2.24
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094547
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
(2R)-2-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 92761294
N,N-bis(2-ethoxyethyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094617
5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46094521
6-(4-methoxyphenyl)-5,7-diphenoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 69201592
2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 46094632
1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 133272686
5-methoxy-2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 133450471
methyl (2R)-3,3-dimethyl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 95975565
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190652
N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78799849

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine?
The IUPAC name of [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine (CID 22298906) is [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine.
What is the SMILES notation for [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine?
The canonical SMILES for [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine is COc1ccc(-c2cc(C(N)c3ccccn3)n3ncnc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine?
The InChIKey is CJCSJJSPZMSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-13-7-5-12(6-8-13)15-10-16(24-18(23-15)21-11-22-24)17(19)14-4-2-3-9-20-14/h2-11,17H,19H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine?
[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine has a molecular weight of 332.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethanamine is sourced from PubChem (CID 22298906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).