2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C18H16F3N9O — CID 139359090

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)n[nH]1
InChIInChI=1S/C18H16F3N9O/c1-10-25-17(28-27-10)12-8-29(4-5-31-12)14-2-3-22-16(26-14)11-6-24-15-7-23-13(9-30(11)15)18(19,20)21/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,25,27,28)
InChIKeyHFMNPMFTDPIUTO-UHFFFAOYSA-N
MW431.38 g/mol
LogP2.21
Rot. Bonds3

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139359090) has the molecular formula C18H16F3N9O and a molecular weight of 431.38 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139359090
Molecular FormulaC18H16F3N9O
Molecular Weight431.38 g/mol
Exact Mass431.14
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)n[nH]1
InChIInChI=1S/C18H16F3N9O/c1-10-25-17(28-27-10)12-8-29(4-5-31-12)14-2-3-22-16(26-14)11-6-24-15-7-23-13(9-30(11)15)18(19,20)21/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,25,27,28)
InChIKeyHFMNPMFTDPIUTO-UHFFFAOYSA-N
XLogP2.21
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 139359090) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is Cc1nc(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HFMNPMFTDPIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N9O/c1-10-25-17(28-27-10)12-8-29(4-5-31-12)14-2-3-22-16(26-14)11-6-24-15-7-23-13(9-30(11)15)18(19,20)21/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,25,27,28).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 431.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139359090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).