8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine

C21H24N6O — CID 166010208

IUPAC8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cccc(N)c4)c(C(C)(C)C)nn23)o1
InChIInChI=1S/C21H24N6O/c1-12-8-9-16(28-12)19-25-20(23)24-18-15(11-13-6-5-7-14(22)10-13)17(21(2,3)4)26-27(18)19/h5-10H,11,22H2,1-4H3,(H2,23,24)
InChIKeyMWIXNFFNZDJHHY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.75
Rot. Bonds3

About 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine

8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 166010208) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID166010208
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cccc(N)c4)c(C(C)(C)C)nn23)o1
InChIInChI=1S/C21H24N6O/c1-12-8-9-16(28-12)19-25-20(23)24-18-15(11-13-6-5-7-14(22)10-13)17(21(2,3)4)26-27(18)19/h5-10H,11,22H2,1-4H3,(H2,23,24)
InChIKeyMWIXNFFNZDJHHY-UHFFFAOYSA-N
XLogP3.75
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
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 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 166010208) is 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is Cc1ccc(-c2nc(N)nc3c(Cc4cccc(N)c4)c(C(C)(C)C)nn23)o1.
What is the InChIKey of 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is MWIXNFFNZDJHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-12-8-9-16(28-12)19-25-20(23)24-18-15(11-13-6-5-7-14(22)10-13)17(21(2,3)4)26-27(18)19/h5-10H,11,22H2,1-4H3,(H2,23,24).
What are the key properties of 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 166010208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).