6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one

C15H13FN6O2 — CID 57214005

IUPAC6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCOCc1cnnn1-c1ncn2c3cccc(F)c3c(=O)n(C)c12
InChIInChI=1S/C15H13FN6O2/c1-20-14-13(22-9(7-24-2)6-18-19-22)17-8-21(14)11-5-3-4-10(16)12(11)15(20)23/h3-6,8H,7H2,1-2H3
InChIKeyIXNVEMYYLSDZGD-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.05
Rot. Bonds3

About 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one

6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 57214005) has the molecular formula C15H13FN6O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID57214005
Molecular FormulaC15H13FN6O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC Name6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCOCc1cnnn1-c1ncn2c3cccc(F)c3c(=O)n(C)c12
InChIInChI=1S/C15H13FN6O2/c1-20-14-13(22-9(7-24-2)6-18-19-22)17-8-21(14)11-5-3-4-10(16)12(11)15(20)23/h3-6,8H,7H2,1-2H3
InChIKeyIXNVEMYYLSDZGD-UHFFFAOYSA-N
XLogP1.05
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one (CID 57214005) is 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one is COCc1cnnn1-c1ncn2c3cccc(F)c3c(=O)n(C)c12.
What is the InChIKey of 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is IXNVEMYYLSDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2/c1-20-14-13(22-9(7-24-2)6-18-19-22)17-8-21(14)11-5-3-4-10(16)12(11)15(20)23/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 328.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-(methoxymethyl)triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 57214005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).