8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C15H13N5O — CID 24874294

IUPAC8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(-c3cc4ccccc4o3)cnn12
InChIInChI=1S/C15H13N5O/c1-9-18-14-11(8-17-20(14)15(16-2)19-9)13-7-10-5-3-4-6-12(10)21-13/h3-8H,1-2H3,(H,16,18,19)
InChIKeyMFCAARVZTOBSLS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.89
Rot. Bonds2

About 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874294) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874294
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(-c3cc4ccccc4o3)cnn12
InChIInChI=1S/C15H13N5O/c1-9-18-14-11(8-17-20(14)15(16-2)19-9)13-7-10-5-3-4-6-12(10)21-13/h3-8H,1-2H3,(H,16,18,19)
InChIKeyMFCAARVZTOBSLS-UHFFFAOYSA-N
XLogP2.89
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874294) is 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(-c3cc4ccccc4o3)cnn12.
What is the InChIKey of 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MFCAARVZTOBSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-9-18-14-11(8-17-20(14)15(16-2)19-9)13-7-10-5-3-4-6-12(10)21-13/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 279.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-2-yl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).