7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C19H16F3N5O2 — CID 4895632

IUPAC7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccco2)n2nc(C)nc2N1
InChIInChI=1S/C19H16F3N5O2/c1-10-15(17(28)25-13-6-3-5-12(9-13)19(20,21)22)16(14-7-4-8-29-14)27-18(23-10)24-11(2)26-27/h3-9,16H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyGQVINOZUYUKKKY-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.13
Rot. Bonds3

About 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4895632) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4895632
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccco2)n2nc(C)nc2N1
InChIInChI=1S/C19H16F3N5O2/c1-10-15(17(28)25-13-6-3-5-12(9-13)19(20,21)22)16(14-7-4-8-29-14)27-18(23-10)24-11(2)26-27/h3-9,16H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyGQVINOZUYUKKKY-UHFFFAOYSA-N
XLogP4.13
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4895632) is 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccco2)n2nc(C)nc2N1.
What is the InChIKey of 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GQVINOZUYUKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-10-15(17(28)25-13-6-3-5-12(9-13)19(20,21)22)16(14-7-4-8-29-14)27-18(23-10)24-11(2)26-27/h3-9,16H,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4895632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).