7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C15H24FN7 — CID 170599117

IUPAC7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1c(C[C@H]2CCN(C)C[C@@H]2F)nn2c(N)nc(N)nc12
InChIInChI=1S/C15H24FN7/c1-8(2)12-11(6-9-4-5-22(3)7-10(9)16)21-23-13(12)19-14(17)20-15(23)18/h8-10H,4-7H2,1-3H3,(H4,17,18,19,20)/t9-,10+/m1/s1
InChIKeyCXAYJCXPRRMDIM-ZJUUUORDSA-N
MW321.40 g/mol
LogP1.24
Rot. Bonds3

About 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 170599117) has the molecular formula C15H24FN7 and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID170599117
Molecular FormulaC15H24FN7
Molecular Weight321.40 g/mol
Exact Mass321.21
IUPAC Name7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1c(C[C@H]2CCN(C)C[C@@H]2F)nn2c(N)nc(N)nc12
InChIInChI=1S/C15H24FN7/c1-8(2)12-11(6-9-4-5-22(3)7-10(9)16)21-23-13(12)19-14(17)20-15(23)18/h8-10H,4-7H2,1-3H3,(H4,17,18,19,20)/t9-,10+/m1/s1
InChIKeyCXAYJCXPRRMDIM-ZJUUUORDSA-N
XLogP1.24
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 170599117) is 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)c1c(C[C@H]2CCN(C)C[C@@H]2F)nn2c(N)nc(N)nc12.
What is the InChIKey of 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is CXAYJCXPRRMDIM-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H24FN7/c1-8(2)12-11(6-9-4-5-22(3)7-10(9)16)21-23-13(12)19-14(17)20-15(23)18/h8-10H,4-7H2,1-3H3,(H4,17,18,19,20)/t9-,10+/m1/s1.
What are the key properties of 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 321.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 170599117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).