N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine

C17H15F3N8 — CID 118216988

IUPACN-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(CCC(F)(F)F)nnc3c2)n1
InChIInChI=1S/C17H15F3N8/c1-27-13(4-8-22-27)24-16-21-7-3-12(23-16)11-5-9-28-14(2-6-17(18,19)20)25-26-15(28)10-11/h3-5,7-10H,2,6H2,1H3,(H,21,23,24)
InChIKeyKUPLAWNEUWTZDU-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.16
Rot. Bonds5

About N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine

N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (PubChem CID 118216988) has the molecular formula C17H15F3N8 and a molecular weight of 388.36 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
PubChem CID118216988
Molecular FormulaC17H15F3N8
Molecular Weight388.36 g/mol
Exact Mass388.14
IUPAC NameN-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(CCC(F)(F)F)nnc3c2)n1
InChIInChI=1S/C17H15F3N8/c1-27-13(4-8-22-27)24-16-21-7-3-12(23-16)11-5-9-28-14(2-6-17(18,19)20)25-26-15(28)10-11/h3-5,7-10H,2,6H2,1H3,(H,21,23,24)
InChIKeyKUPLAWNEUWTZDU-UHFFFAOYSA-N
XLogP3.16
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine (CID 118216988) is N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2ccn3c(CCC(F)(F)F)nnc3c2)n1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?
The InChIKey is KUPLAWNEUWTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N8/c1-27-13(4-8-22-27)24-16-21-7-3-12(23-16)11-5-9-28-14(2-6-17(18,19)20)25-26-15(28)10-11/h3-5,7-10H,2,6H2,1H3,(H,21,23,24).
What are the key properties of N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine?
N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine has a molecular weight of 388.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 118216988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).