N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C15H17N5O2 — CID 16861128

IUPACN-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1
InChIInChI=1S/C15H17N5O2/c1-3-16-13(21)12-14(22)20-9-8-19(15(20)18-17-12)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21)
InChIKeyZPFVZLQMNRXFTD-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.85
Rot. Bonds3

About N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16861128) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID16861128
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1
InChIInChI=1S/C15H17N5O2/c1-3-16-13(21)12-14(22)20-9-8-19(15(20)18-17-12)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21)
InChIKeyZPFVZLQMNRXFTD-UHFFFAOYSA-N
XLogP0.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 16861128) is N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1.
What is the InChIKey of N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is ZPFVZLQMNRXFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-16-13(21)12-14(22)20-9-8-19(15(20)18-17-12)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21).
What are the key properties of N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).