N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16FN7 — CID 133387437

IUPACN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2cnn(-c3ccccc3F)c2C)c1C
InChIInChI=1S/C17H16FN7/c1-10-11(2)22-17-19-9-21-25(17)16(10)23-14-8-20-24(12(14)3)15-7-5-4-6-13(15)18/h4-9,23H,1-3H3
InChIKeyHNGYRLGCSNCOIM-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133387437) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133387437
Molecular FormulaC17H16FN7
Molecular Weight337.36 g/mol
Exact Mass337.15
IUPAC NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2cnn(-c3ccccc3F)c2C)c1C
InChIInChI=1S/C17H16FN7/c1-10-11(2)22-17-19-9-21-25(17)16(10)23-14-8-20-24(12(14)3)15-7-5-4-6-13(15)18/h4-9,23H,1-3H3
InChIKeyHNGYRLGCSNCOIM-UHFFFAOYSA-N
XLogP3.12
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133387437) is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(Nc2cnn(-c3ccccc3F)c2C)c1C.
What is the InChIKey of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HNGYRLGCSNCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7/c1-10-11(2)22-17-19-9-21-25(17)16(10)23-14-8-20-24(12(14)3)15-7-5-4-6-13(15)18/h4-9,23H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133387437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).