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

C17H15FN6O — CID 67886380

IUPAC3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3CC3CC3)c12
InChIInChI=1S/C17H15FN6O/c1-22-16-15(24-11(8-20-21-24)7-10-5-6-10)19-9-23(16)13-4-2-3-12(18)14(13)17(22)25/h2-4,8-10H,5-7H2,1H3
InChIKeyDTMYLHCRBCEULX-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.86
Rot. Bonds3

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

3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 67886380) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID67886380
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3CC3CC3)c12
InChIInChI=1S/C17H15FN6O/c1-22-16-15(24-11(8-20-21-24)7-10-5-6-10)19-9-23(16)13-4-2-3-12(18)14(13)17(22)25/h2-4,8-10H,5-7H2,1H3
InChIKeyDTMYLHCRBCEULX-UHFFFAOYSA-N
XLogP1.86
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
2-[1-[4-Amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propyl]-3-cyclopropyl-5-fluoroquinazolin-4-one
CID 162645079
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 1,5-dihydro-1-ethyl-5-phenyl-
CID 3071936
1,3-Dimethyl-5-phenyl-6-(1,2,4-triazol-4-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 3236798
[2-(3,6-Dimethylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
CID 52917748
2-(3,6-Dimethylpyrazin-2-yl)-5-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
CID 52917751
(1R,6S)-8-(3,6-Dimethylpyrazin-2-yl)-3-{[2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-3,8-diazabicyclo[4.2.0]octane
CID 52920051
(1R,6S)-3-{[2-Fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
CID 52920054
(1R,6S)-3-{[2-Fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-8-(6-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
CID 52920287
[4-Fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116347

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (CID 67886380) is 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3CC3CC3)c12.
What is the InChIKey of 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is DTMYLHCRBCEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-22-16-15(24-11(8-20-21-24)7-10-5-6-10)19-9-23(16)13-4-2-3-12(18)14(13)17(22)25/h2-4,8-10H,5-7H2,1H3.
What are the key properties of 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 338.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67886380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).