8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C18H16F3N7O — CID 146989481

IUPAC8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2ncco2)nc(N)n2nc(CNCc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C18H16F3N7O/c1-10-14(16-24-6-7-29-16)26-17(22)28-15(10)25-13(27-28)9-23-8-11-2-4-12(5-3-11)18(19,20)21/h2-7,23H,8-9H2,1H3,(H2,22,26)
InChIKeyAPXGPOYNIBNFKH-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.98
Rot. Bonds5

About 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146989481) has the molecular formula C18H16F3N7O and a molecular weight of 403.37 g/mol. Its IUPAC name is 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146989481
Molecular FormulaC18H16F3N7O
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2ncco2)nc(N)n2nc(CNCc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C18H16F3N7O/c1-10-14(16-24-6-7-29-16)26-17(22)28-15(10)25-13(27-28)9-23-8-11-2-4-12(5-3-11)18(19,20)21/h2-7,23H,8-9H2,1H3,(H2,22,26)
InChIKeyAPXGPOYNIBNFKH-UHFFFAOYSA-N
XLogP2.98
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146989481) is 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1c(-c2ncco2)nc(N)n2nc(CNCc3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is APXGPOYNIBNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O/c1-10-14(16-24-6-7-29-16)26-17(22)28-15(10)25-13(27-28)9-23-8-11-2-4-12(5-3-11)18(19,20)21/h2-7,23H,8-9H2,1H3,(H2,22,26).
What are the key properties of 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 403.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(1,3-oxazol-2-yl)-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).