7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C16H14N4O2 — CID 3294570

IUPAC7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1
InChIInChI=1S/C16H14N4O2/c1-21-12-6-4-11(5-7-12)13-9-14(15-3-2-8-22-15)20-16(19-13)17-10-18-20/h2-10,14H,1H3,(H,17,18,19)
InChIKeyBZXPTZQKAPOKFX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.94
Rot. Bonds3

About 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3294570) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3294570
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1
InChIInChI=1S/C16H14N4O2/c1-21-12-6-4-11(5-7-12)13-9-14(15-3-2-8-22-15)20-16(19-13)17-10-18-20/h2-10,14H,1H3,(H,17,18,19)
InChIKeyBZXPTZQKAPOKFX-UHFFFAOYSA-N
XLogP2.94
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2985448
2-Methoxyethyl 7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3161237
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3574213
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948735
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947662
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
7-(5-Bromo-2-furyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932011
5-(4-Chlorophenyl)-7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932207
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2933809
7-(Furan-2-yl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947422

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3294570) is 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1.
What is the InChIKey of 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BZXPTZQKAPOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-12-6-4-11(5-7-12)13-9-14(15-3-2-8-22-15)20-16(19-13)17-10-18-20/h2-10,14H,1H3,(H,17,18,19).
What are the key properties of 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 294.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3294570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).