ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate

C14H15N5O3 — CID 90257651

IUPACethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c3cccc(OC)c3nc(N)n2n1
InChIInChI=1S/C14H15N5O3/c1-3-22-11(20)7-10-16-13-8-5-4-6-9(21-2)12(8)17-14(15)19(13)18-10/h4-6H,3,7H2,1-2H3,(H2,15,17)
InChIKeyCJXHCFNPOCEJSH-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate

ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate (PubChem CID 90257651) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
PubChem CID90257651
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Nameethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c3cccc(OC)c3nc(N)n2n1
InChIInChI=1S/C14H15N5O3/c1-3-22-11(20)7-10-16-13-8-5-4-6-9(21-2)12(8)17-14(15)19(13)18-10/h4-6H,3,7H2,1-2H3,(H2,15,17)
InChIKeyCJXHCFNPOCEJSH-UHFFFAOYSA-N
XLogP0.97
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
CID 160556367
(2R)-2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-1-ol
CID 162684795
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-yloxy thiohypoiodite
CID 144662413
2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 162684766
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-[4-[(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methoxymethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 162684898
7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285900
7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285859
tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate
CID 126480922
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate (CID 90257651) is ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate is CCOC(=O)Cc1nc2c3cccc(OC)c3nc(N)n2n1.
What is the InChIKey of ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate?
The InChIKey is CJXHCFNPOCEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-3-22-11(20)7-10-16-13-8-5-4-6-9(21-2)12(8)17-14(15)19(13)18-10/h4-6H,3,7H2,1-2H3,(H2,15,17).
What are the key properties of ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate?
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate has a molecular weight of 301.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate is sourced from PubChem (CID 90257651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).