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

C17H17FN6O — CID 56629982

IUPAC3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3C(C)(C)C)c12
InChIInChI=1S/C17H17FN6O/c1-17(2,3)12-8-20-21-24(12)14-15-22(4)16(25)13-10(18)6-5-7-11(13)23(15)9-19-14/h5-9H,1-4H3
InChIKeyMRHSVMQBNXUHHG-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.20
Rot. Bonds1

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

3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 56629982) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID56629982
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3C(C)(C)C)c12
InChIInChI=1S/C17H17FN6O/c1-17(2,3)12-8-20-21-24(12)14-15-22(4)16(25)13-10(18)6-5-7-11(13)23(15)9-19-14/h5-9H,1-4H3
InChIKeyMRHSVMQBNXUHHG-UHFFFAOYSA-N
XLogP2.20
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (CID 56629982) is 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2c(F)cccc2n2cnc(-n3nncc3C(C)(C)C)c12.
What is the InChIKey of 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is MRHSVMQBNXUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-17(2,3)12-8-20-21-24(12)14-15-22(4)16(25)13-10(18)6-5-7-11(13)23(15)9-19-14/h5-9H,1-4H3.
What are the key properties of 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 340.36 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 56629982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).