8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C14H15FN6 — CID 146520640

IUPAC8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(C)c1cnn2c(N)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C14H15FN6/c1-3-8(2)11-7-18-21-13(11)19-12(20-14(21)16)9-4-10(15)6-17-5-9/h4-8H,3H2,1-2H3,(H2,16,19,20)
InChIKeyOHADRCCPZSRJNV-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.42
Rot. Bonds3

About 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 146520640) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID146520640
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(C)c1cnn2c(N)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C14H15FN6/c1-3-8(2)11-7-18-21-13(11)19-12(20-14(21)16)9-4-10(15)6-17-5-9/h4-8H,3H2,1-2H3,(H2,16,19,20)
InChIKeyOHADRCCPZSRJNV-UHFFFAOYSA-N
XLogP2.42
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 146520640) is 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(C)c1cnn2c(N)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is OHADRCCPZSRJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-3-8(2)11-7-18-21-13(11)19-12(20-14(21)16)9-4-10(15)6-17-5-9/h4-8H,3H2,1-2H3,(H2,16,19,20).
What are the key properties of 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 286.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 146520640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).