9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C13H14N4O2 — CID 164624110

IUPAC9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc2[nH]c(=O)n3nc(C(C)C)nc3c2c1
InChIInChI=1S/C13H14N4O2/c1-7(2)11-15-12-9-6-8(19-3)4-5-10(9)14-13(18)17(12)16-11/h4-7H,1-3H3,(H,14,18)
InChIKeyTZMSKTBAJWFWNO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.70
Rot. Bonds2

About 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 164624110) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID164624110
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc2[nH]c(=O)n3nc(C(C)C)nc3c2c1
InChIInChI=1S/C13H14N4O2/c1-7(2)11-15-12-9-6-8(19-3)4-5-10(9)14-13(18)17(12)16-11/h4-7H,1-3H3,(H,14,18)
InChIKeyTZMSKTBAJWFWNO-UHFFFAOYSA-N
XLogP1.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-chloro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035281
N-(2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
CID 5309264
N-[(3-methoxyphenyl)methyl]-2-[2-(3-methylphenyl)-5-oxo-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetamide
CID 16032966
8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135485418
2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135495513
2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide
CID 164616678
2-[2-(3-Fluorophenyl)-5-oxo-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-6-YL]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16033008
2-(3,5-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135623377
2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135976804
2-(2-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136092326
2-methyl-9-(trifluoromethoxy)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136146118
9-trifluoromethoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136333082

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 164624110) is 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1ccc2[nH]c(=O)n3nc(C(C)C)nc3c2c1.
What is the InChIKey of 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is TZMSKTBAJWFWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7(2)11-15-12-9-6-8(19-3)4-5-10(9)14-13(18)17(12)16-11/h4-7H,1-3H3,(H,14,18).
What are the key properties of 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 258.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 164624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).