8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C15H19FN8 — CID 177003477

IUPAC8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCNc1nc2c(N3CC(CF)C3)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C15H19FN8/c1-2-3-17-15-21-14-13(23-7-10(4-16)8-23)12(11-5-19-20-6-11)18-9-24(14)22-15/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,22)(H,19,20)
InChIKeyLWMYOCFENSOFRR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.74
Rot. Bonds6

About 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 177003477) has the molecular formula C15H19FN8 and a molecular weight of 330.37 g/mol. Its IUPAC name is 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID177003477
Molecular FormulaC15H19FN8
Molecular Weight330.37 g/mol
Exact Mass330.17
IUPAC Name8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCNc1nc2c(N3CC(CF)C3)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C15H19FN8/c1-2-3-17-15-21-14-13(23-7-10(4-16)8-23)12(11-5-19-20-6-11)18-9-24(14)22-15/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,22)(H,19,20)
InChIKeyLWMYOCFENSOFRR-UHFFFAOYSA-N
XLogP1.74
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-ethoxy-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 172627612
8-(2-azabicyclo[2.2.1]heptan-2-yl)-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003483
2-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,8-diamine
CID 177003670
N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003450
N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 137213794
N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 174232502
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484

Frequently Asked Questions

What is the IUPAC name of 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 177003477) is 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is CCCNc1nc2c(N3CC(CF)C3)c(-c3cn[nH]c3)ncn2n1.
What is the InChIKey of 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is LWMYOCFENSOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN8/c1-2-3-17-15-21-14-13(23-7-10(4-16)8-23)12(11-5-19-20-6-11)18-9-24(14)22-15/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 330.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 177003477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).