ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate

C12H11N5O2 — CID 10848731

IUPACethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N)c1ccccc12
InChIInChI=1S/C12H11N5O2/c1-2-19-12(18)9-11-14-10(13)7-5-3-4-6-8(7)17(11)16-15-9/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyJIAKCXXNFXXQEE-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.04
Rot. Bonds2

About ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 10848731) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID10848731
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Nameethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N)c1ccccc12
InChIInChI=1S/C12H11N5O2/c1-2-19-12(18)9-11-14-10(13)7-5-3-4-6-8(7)17(11)16-15-9/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyJIAKCXXNFXXQEE-UHFFFAOYSA-N
XLogP1.04
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 5304078
ethyl 4-oxotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 132557247
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate
CID 58064189
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
CID 102144497
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160

Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate (CID 10848731) is ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N)c1ccccc12.
What is the InChIKey of ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is JIAKCXXNFXXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-2-19-12(18)9-11-14-10(13)7-5-3-4-6-8(7)17(11)16-15-9/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 10848731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).