8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C20H20N8O — CID 146387238

IUPAC8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILES[H]/N=N/c1ccc(-c2c(-c3ccccc3OC)nc(N)n3nc(CC)nc23)cc1N
InChIInChI=1S/C20H20N8O/c1-3-16-24-19-17(11-8-9-14(26-23)13(21)10-11)18(25-20(22)28(19)27-16)12-6-4-5-7-15(12)29-2/h4-10,23H,3,21H2,1-2H3,(H2,22,25)/b26-23+
InChIKeyURUNESHIWYUHLO-WNAAXNPUSA-N
MW388.44 g/mol
LogP3.86
Rot. Bonds5

About 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387238) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387238
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILES[H]/N=N/c1ccc(-c2c(-c3ccccc3OC)nc(N)n3nc(CC)nc23)cc1N
InChIInChI=1S/C20H20N8O/c1-3-16-24-19-17(11-8-9-14(26-23)13(21)10-11)18(25-20(22)28(19)27-16)12-6-4-5-7-15(12)29-2/h4-10,23H,3,21H2,1-2H3,(H2,22,25)/b26-23+
InChIKeyURUNESHIWYUHLO-WNAAXNPUSA-N
XLogP3.86
TPSA140.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387248
7-[3-[2-[5-amino-7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-fluorophenyl]-2-ethyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 162609664
[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 146387175
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743349
2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743337
8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387154
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
2-ethyl-5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62224543
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387238) is 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is [H]/N=N/c1ccc(-c2c(-c3ccccc3OC)nc(N)n3nc(CC)nc23)cc1N.
What is the InChIKey of 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is URUNESHIWYUHLO-WNAAXNPUSA-N. The full InChI is InChI=1S/C20H20N8O/c1-3-16-24-19-17(11-8-9-14(26-23)13(21)10-11)18(25-20(22)28(19)27-16)12-6-4-5-7-15(12)29-2/h4-10,23H,3,21H2,1-2H3,(H2,22,25)/b26-23+.
What are the key properties of 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 388.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).