N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H16F2N6 — CID 53045694

IUPACN-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(F)c(F)c2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C19H16F2N6/c1-11(2)16-9-17(23-13-5-6-14(20)15(21)8-13)27-19(24-16)25-18(26-27)12-4-3-7-22-10-12/h3-11,23H,1-2H3
InChIKeyKXYKTGDDQCRPCA-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.33
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53045694) has the molecular formula C19H16F2N6 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53045694
Molecular FormulaC19H16F2N6
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(F)c(F)c2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C19H16F2N6/c1-11(2)16-9-17(23-13-5-6-14(20)15(21)8-13)27-19(24-16)25-18(26-27)12-4-3-7-22-10-12/h3-11,23H,1-2H3
InChIKeyKXYKTGDDQCRPCA-UHFFFAOYSA-N
XLogP4.33
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53045694) is N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(Nc2ccc(F)c(F)c2)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KXYKTGDDQCRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6/c1-11(2)16-9-17(23-13-5-6-14(20)15(21)8-13)27-19(24-16)25-18(26-27)12-4-3-7-22-10-12/h3-11,23H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53045694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).