N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide

C14H15ClN6O2 — CID 45130749

IUPACN-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN6O2/c1-19(2)11-17-12-20(7-8-21(12)14(23)18-11)13(22)16-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,22)
InChIKeyZCVIGPNEWMFYRI-UHFFFAOYSA-N
MW334.77 g/mol
LogP1.41
Rot. Bonds2

About N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide

N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (PubChem CID 45130749) has the molecular formula C14H15ClN6O2 and a molecular weight of 334.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
PubChem CID45130749
Molecular FormulaC14H15ClN6O2
Molecular Weight334.77 g/mol
Exact Mass334.09
IUPAC NameN-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN6O2/c1-19(2)11-17-12-20(7-8-21(12)14(23)18-11)13(22)16-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,22)
InChIKeyZCVIGPNEWMFYRI-UHFFFAOYSA-N
XLogP1.41
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (CID 45130749) is N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide is CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The InChIKey is ZCVIGPNEWMFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2/c1-19(2)11-17-12-20(7-8-21(12)14(23)18-11)13(22)16-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,22).
What are the key properties of N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide has a molecular weight of 334.77 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide is sourced from PubChem (CID 45130749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).