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

C26H23N5O2 — CID 2816170

IUPACethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N(Cc1ccccc1)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H23N5O2/c1-2-33-26(32)23-25-27-24(21-15-9-10-16-22(21)31(25)29-28-23)30(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyLRZDXUGZGFYXTN-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.66
Rot. Bonds7

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

ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2816170) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2816170
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Nameethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N(Cc1ccccc1)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H23N5O2/c1-2-33-26(32)23-25-27-24(21-15-9-10-16-22(21)31(25)29-28-23)30(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyLRZDXUGZGFYXTN-UHFFFAOYSA-N
XLogP4.66
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate (CID 2816170) is ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N(Cc1ccccc1)Cc1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is LRZDXUGZGFYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-2-33-26(32)23-25-27-24(21-15-9-10-16-22(21)31(25)29-28-23)30(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3.
What are the key properties of ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dibenzylamino)triazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2816170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).