5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

C19H19ClN4O2 — CID 171383212

IUPAC5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1
InChIInChI=1S/C19H19ClN4O2/c1-23(2)19(26)17-21-16(12-13-6-4-3-5-7-13)18(25)24(22-17)15-10-8-14(20)9-11-15/h3-11,16H,12H2,1-2H3,(H,21,22)
InChIKeyQAUXXNVZHZDXRW-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.29
Rot. Bonds4

About 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 171383212) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID171383212
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1
InChIInChI=1S/C19H19ClN4O2/c1-23(2)19(26)17-21-16(12-13-6-4-3-5-7-13)18(25)24(22-17)15-10-8-14(20)9-11-15/h3-11,16H,12H2,1-2H3,(H,21,22)
InChIKeyQAUXXNVZHZDXRW-UHFFFAOYSA-N
XLogP2.29
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 171383212) is 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is CN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is QAUXXNVZHZDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-23(2)19(26)17-21-16(12-13-6-4-3-5-7-13)18(25)24(22-17)15-10-8-14(20)9-11-15/h3-11,16H,12H2,1-2H3,(H,21,22).
What are the key properties of 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(4-chlorophenyl)-N,N-dimethyl-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 171383212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).