4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine

C17H16N6O — CID 167594212

IUPAC4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1
InChIInChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14/h3-7,9H,8H2,1-2H3,(H2,18,21)
InChIKeyRAUHVUMFFKNACQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.57
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine

4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 167594212) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID167594212
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1
InChIInChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14/h3-7,9H,8H2,1-2H3,(H2,18,21)
InChIKeyRAUHVUMFFKNACQ-UHFFFAOYSA-N
XLogP2.57
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 167706859
8-N-[6-(chloromethyl)-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
CID 139408751
8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 166010199
8-[(3-aminophenyl)methyl]-7-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 166010208
4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol
CID 139408904
4-N-[[6-(chloromethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-2,4,5-triamine
CID 146475044
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
1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
CID 44554482
6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine
CID 167101312
4-[2-[6-amino-4-(5-methylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzoic acid
CID 175450216
[2-(tert-butylamino)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanol
CID 155385053
7-(5-methylfuran-2-yl)-3-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129314427

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 167594212) is 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine is Cc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is RAUHVUMFFKNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14/h3-7,9H,8H2,1-2H3,(H2,18,21).
What are the key properties of 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 320.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 167594212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).