N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C18H23N5O2 — CID 16668958

IUPACN,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCCN(CC)C(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O
InChIInChI=1S/C18H23N5O2/c1-5-21(6-2)15(24)11-22-18(25)23-16(12(3)4)19-14-10-8-7-9-13(14)17(23)20-22/h7-10,12H,5-6,11H2,1-4H3
InChIKeyQJUUVFSHNGMFNL-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.04
Rot. Bonds5

About N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 16668958) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID16668958
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCCN(CC)C(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O
InChIInChI=1S/C18H23N5O2/c1-5-21(6-2)15(24)11-22-18(25)23-16(12(3)4)19-14-10-8-7-9-13(14)17(23)20-22/h7-10,12H,5-6,11H2,1-4H3
InChIKeyQJUUVFSHNGMFNL-UHFFFAOYSA-N
XLogP2.04
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 16668958) is N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is CCN(CC)C(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O.
What is the InChIKey of N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is QJUUVFSHNGMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-21(6-2)15(24)11-22-18(25)23-16(12(3)4)19-14-10-8-7-9-13(14)17(23)20-22/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 16668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).