ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate

C17H20N6O2 — CID 2816168

IUPACethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C17H20N6O2/c1-3-25-17(24)14-16-18-15(22-10-8-21(2)9-11-22)12-6-4-5-7-13(12)23(16)20-19-14/h4-7H,3,8-11H2,1-2H3
InChIKeyHARGZZRHKVNMNM-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.21
Rot. Bonds3

About ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2816168) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2816168
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Nameethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C17H20N6O2/c1-3-25-17(24)14-16-18-15(22-10-8-21(2)9-11-22)12-6-4-5-7-13(12)23(16)20-19-14/h4-7H,3,8-11H2,1-2H3
InChIKeyHARGZZRHKVNMNM-UHFFFAOYSA-N
XLogP1.21
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate (CID 2816168) is ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N1CCN(C)CC1)c1ccccc12.
What is the InChIKey of ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is HARGZZRHKVNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-25-17(24)14-16-18-15(22-10-8-21(2)9-11-22)12-6-4-5-7-13(12)23(16)20-19-14/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylpiperazin-1-yl)triazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2816168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).