2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine

C20H21FN6O — CID 139408725

IUPAC2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
SMILESCc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1
InChIInChI=1S/C20H21FN6O/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21/h5-11,23H,1-4H3,(H,24,26)
InChIKeyHXFJOHGHWKSHBN-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.79
Rot. Bonds4

About 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine

2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine (PubChem CID 139408725) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
PubChem CID139408725
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
SMILESCc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1
InChIInChI=1S/C20H21FN6O/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21/h5-11,23H,1-4H3,(H,24,26)
InChIKeyHXFJOHGHWKSHBN-UHFFFAOYSA-N
XLogP4.79
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?
The IUPAC name of 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine (CID 139408725) is 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine.
What is the SMILES notation for 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?
The canonical SMILES for 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine is Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1.
What is the InChIKey of 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?
The InChIKey is HXFJOHGHWKSHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21/h5-11,23H,1-4H3,(H,24,26).
What are the key properties of 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?
2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine has a molecular weight of 380.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine is sourced from PubChem (CID 139408725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).