2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H19N5O2 — CID 3612271

IUPAC2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2nc(-c3ccco3)nc2N1
InChIInChI=1S/C23H19N5O2/c1-15-19(22(29)25-17-11-6-3-7-12-17)20(16-9-4-2-5-10-16)28-23(24-15)26-21(27-28)18-13-8-14-30-18/h2-14,20H,1H3,(H,25,29)(H,24,26,27)
InChIKeyTWYMPYISGROVEB-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.47
Rot. Bonds4

About 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3612271) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3612271
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2nc(-c3ccco3)nc2N1
InChIInChI=1S/C23H19N5O2/c1-15-19(22(29)25-17-11-6-3-7-12-17)20(16-9-4-2-5-10-16)28-23(24-15)26-21(27-28)18-13-8-14-30-18/h2-14,20H,1H3,(H,25,29)(H,24,26,27)
InChIKeyTWYMPYISGROVEB-UHFFFAOYSA-N
XLogP4.47
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3612271) is 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2nc(-c3ccco3)nc2N1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is TWYMPYISGROVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15-19(22(29)25-17-11-6-3-7-12-17)20(16-9-4-2-5-10-16)28-23(24-15)26-21(27-28)18-13-8-14-30-18/h2-14,20H,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3612271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).