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

C16H19N5O2 — CID 16668904

IUPACN,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCC(C)c1nc2ccccc2c2nn(CC(=O)N(C)C)c(=O)n12
InChIInChI=1S/C16H19N5O2/c1-10(2)14-17-12-8-6-5-7-11(12)15-18-20(16(23)21(14)15)9-13(22)19(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDLUHTHZYRDACBE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.26
Rot. Bonds3

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

N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 16668904) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID16668904
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCC(C)c1nc2ccccc2c2nn(CC(=O)N(C)C)c(=O)n12
InChIInChI=1S/C16H19N5O2/c1-10(2)14-17-12-8-6-5-7-11(12)15-18-20(16(23)21(14)15)9-13(22)19(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDLUHTHZYRDACBE-UHFFFAOYSA-N
XLogP1.26
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 16668904) is N,N-dimethyl-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-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is CC(C)c1nc2ccccc2c2nn(CC(=O)N(C)C)c(=O)n12.
What is the InChIKey of N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is DLUHTHZYRDACBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)14-17-12-8-6-5-7-11(12)15-18-20(16(23)21(14)15)9-13(22)19(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 16668904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).