N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H13F4N5 — CID 133350445

IUPACN-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2ccccc2)c1
InChIInChI=1S/C19H13F4N5/c20-14-8-4-7-13(9-14)17(12-5-2-1-3-6-12)27-16-10-15(19(21,22)23)26-18-24-11-25-28(16)18/h1-11,17,27H
InChIKeyFBVJOFXWROGEBD-UHFFFAOYSA-N
MW387.34 g/mol
LogP4.48
Rot. Bonds4

About N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133350445) has the molecular formula C19H13F4N5 and a molecular weight of 387.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133350445
Molecular FormulaC19H13F4N5
Molecular Weight387.34 g/mol
Exact Mass387.11
IUPAC NameN-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2ccccc2)c1
InChIInChI=1S/C19H13F4N5/c20-14-8-4-7-13(9-14)17(12-5-2-1-3-6-12)27-16-10-15(19(21,22)23)26-18-24-11-25-28(16)18/h1-11,17,27H
InChIKeyFBVJOFXWROGEBD-UHFFFAOYSA-N
XLogP4.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133350445) is N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Fc1cccc(C(Nc2cc(C(F)(F)F)nc3ncnn23)c2ccccc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FBVJOFXWROGEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5/c20-14-8-4-7-13(9-14)17(12-5-2-1-3-6-12)27-16-10-15(19(21,22)23)26-18-24-11-25-28(16)18/h1-11,17,27H.
What are the key properties of N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 387.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-phenylmethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133350445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).