ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate

C16H19N5O2 — CID 2816166

IUPACethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N(CC)CC)c1ccccc12
InChIInChI=1S/C16H19N5O2/c1-4-20(5-2)14-11-9-7-8-10-12(11)21-15(17-14)13(18-19-21)16(22)23-6-3/h7-10H,4-6H2,1-3H3
InChIKeyAWNHFVHHFPMEPJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.30
Rot. Bonds5

About ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2816166) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2816166
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Nameethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N(CC)CC)c1ccccc12
InChIInChI=1S/C16H19N5O2/c1-4-20(5-2)14-11-9-7-8-10-12(11)21-15(17-14)13(18-19-21)16(22)23-6-3/h7-10H,4-6H2,1-3H3
InChIKeyAWNHFVHHFPMEPJ-UHFFFAOYSA-N
XLogP2.30
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate (CID 2816166) is ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N(CC)CC)c1ccccc12.
What is the InChIKey of ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is AWNHFVHHFPMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-20(5-2)14-11-9-7-8-10-12(11)21-15(17-14)13(18-19-21)16(22)23-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylamino)triazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2816166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).