ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate

C17H19N5O2 — CID 2816167

IUPACethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCCCC1)c1ccccc12
InChIInChI=1S/C17H19N5O2/c1-2-24-17(23)14-16-18-15(21-10-6-3-7-11-21)12-8-4-5-9-13(12)22(16)20-19-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyCESUIKFOJMCHSH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.44
Rot. Bonds3

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

ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2816167) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2816167
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Nameethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCCCC1)c1ccccc12
InChIInChI=1S/C17H19N5O2/c1-2-24-17(23)14-16-18-15(21-10-6-3-7-11-21)12-8-4-5-9-13(12)22(16)20-19-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyCESUIKFOJMCHSH-UHFFFAOYSA-N
XLogP2.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate (CID 2816167) is ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N1CCCCC1)c1ccccc12.
What is the InChIKey of ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is CESUIKFOJMCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-24-17(23)14-16-18-15(21-10-6-3-7-11-21)12-8-4-5-9-13(12)22(16)20-19-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperidin-1-yltriazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2816167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).