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

C14H14Cl2N6O2 — CID 27378821

IUPACN-(3,4-dichlorophenyl)-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)c(Cl)c1
InChIInChI=1S/C14H14Cl2N6O2/c1-20(2)11-18-12-21(5-6-22(12)14(24)19-11)13(23)17-8-3-4-9(15)10(16)7-8/h3-4,7H,5-6H2,1-2H3,(H,17,23)
InChIKeyFFIIQWDXCKDMET-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.06
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (PubChem CID 27378821) has the molecular formula C14H14Cl2N6O2 and a molecular weight of 369.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
PubChem CID27378821
Molecular FormulaC14H14Cl2N6O2
Molecular Weight369.21 g/mol
Exact Mass368.06
IUPAC NameN-(3,4-dichlorophenyl)-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)c(Cl)c1
InChIInChI=1S/C14H14Cl2N6O2/c1-20(2)11-18-12-21(5-6-22(12)14(24)19-11)13(23)17-8-3-4-9(15)10(16)7-8/h3-4,7H,5-6H2,1-2H3,(H,17,23)
InChIKeyFFIIQWDXCKDMET-UHFFFAOYSA-N
XLogP2.06
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (CID 27378821) is N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-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)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The InChIKey is FFIIQWDXCKDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6O2/c1-20(2)11-18-12-21(5-6-22(12)14(24)19-11)13(23)17-8-3-4-9(15)10(16)7-8/h3-4,7H,5-6H2,1-2H3,(H,17,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide is sourced from PubChem (CID 27378821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).