2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide

C13H14N8O3 — CID 90397848

IUPAC2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide
SMILESCN1NNN=C1NC(=O)c1nn(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C13H14N8O3/c1-19-12(15-17-18-19)14-10(22)9-11(23)21(13(24)20(2)16-9)8-6-4-3-5-7-8/h3-7,17-18H,1-2H3,(H,14,15,22)
InChIKeyRKMAVTXTPGHOKD-UHFFFAOYSA-N
MW330.31 g/mol
LogP-2.11
Rot. Bonds2

About 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide

2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide (PubChem CID 90397848) has the molecular formula C13H14N8O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide
PubChem CID90397848
Molecular FormulaC13H14N8O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide
SMILESCN1NNN=C1NC(=O)c1nn(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C13H14N8O3/c1-19-12(15-17-18-19)14-10(22)9-11(23)21(13(24)20(2)16-9)8-6-4-3-5-7-8/h3-7,17-18H,1-2H3,(H,14,15,22)
InChIKeyRKMAVTXTPGHOKD-UHFFFAOYSA-N
XLogP-2.11
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide (CID 90397848) is 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide is CN1NNN=C1NC(=O)c1nn(C)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide?
The InChIKey is RKMAVTXTPGHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O3/c1-19-12(15-17-18-19)14-10(22)9-11(23)21(13(24)20(2)16-9)8-6-4-3-5-7-8/h3-7,17-18H,1-2H3,(H,14,15,22).
What are the key properties of 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide?
2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide has a molecular weight of 330.31 g/mol, XLogP of -2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 90397848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).