8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C18H16N4O2 — CID 45486553

IUPAC8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOc1ccc(N2CCn3c2nnc(-c2ccccc2)c3=O)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-7-14(8-10-15)21-11-12-22-17(23)16(19-20-18(21)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyDUHSQKBLGVKTSC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.47
Rot. Bonds3

About 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 45486553) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID45486553
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOc1ccc(N2CCn3c2nnc(-c2ccccc2)c3=O)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-7-14(8-10-15)21-11-12-22-17(23)16(19-20-18(21)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyDUHSQKBLGVKTSC-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 45486553) is 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is COc1ccc(N2CCn3c2nnc(-c2ccccc2)c3=O)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is DUHSQKBLGVKTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-15-9-7-14(8-10-15)21-11-12-22-17(23)16(19-20-18(21)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 45486553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).