4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide

C16H16N6O2 — CID 59200067

IUPAC4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide
SMILESCC1=NNC(=O)N(NC(=O)c2cnc(-c3ccccc3)nc2C)C1
InChIInChI=1S/C16H16N6O2/c1-10-9-22(16(24)20-19-10)21-15(23)13-8-17-14(18-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyVXZRXGJPGDMFPW-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.50
Rot. Bonds3

About 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide

4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 59200067) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide
PubChem CID59200067
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide
SMILESCC1=NNC(=O)N(NC(=O)c2cnc(-c3ccccc3)nc2C)C1
InChIInChI=1S/C16H16N6O2/c1-10-9-22(16(24)20-19-10)21-15(23)13-8-17-14(18-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyVXZRXGJPGDMFPW-UHFFFAOYSA-N
XLogP1.50
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide (CID 59200067) is 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide is CC1=NNC(=O)N(NC(=O)c2cnc(-c3ccccc3)nc2C)C1.
What is the InChIKey of 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is VXZRXGJPGDMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-9-22(16(24)20-19-10)21-15(23)13-8-17-14(18-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide?
4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 59200067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).