4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one

C10H11N5O — CID 737018

IUPAC4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccccc2)n(N)c1=O
InChIInChI=1S/C10H11N5O/c1-7-9(16)15(11)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKQCIEKNGPGUFCQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.40
Rot. Bonds2

About 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one

4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one (PubChem CID 737018) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one
PubChem CID737018
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccccc2)n(N)c1=O
InChIInChI=1S/C10H11N5O/c1-7-9(16)15(11)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKQCIEKNGPGUFCQ-UHFFFAOYSA-N
XLogP0.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-anilino-1,2,4-triazin-5(4H)-one
CID 135439726
4-Amino-6-methyl-3-o-tolylamino-4H-[1,2,4]triazin-5-one
CID 2198241
N-(1-phenyl-5-thioxo-1,2,4-triazolin-3-yl)acetamide
CID 679158
6-methyl-3-[(2-methylphenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135412275
4-Amino-3-(4-chloroanilino)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
CID 737019
2-butyryl-N-phenylhydrazinecarboxamide
CID 1788575
6-Methyl-3-[(4-methylphenyl)amino]-1,2,4-triazin-5-ol
CID 135412453
3-{[4-(Dimethylamino)phenyl]amino}-1,2,4-triazin-5-ol
CID 135652640
4-Amino-6-methyl-3-m-tolylamino-4H-[1,2,4]triazin-5-one
CID 753529
4-Amino-6-tert-butyl-3-(4-methylanilino)-1,2,4-triazin-5-one
CID 4354153
6-Tert-butyl-3-[(3-fluorophenyl)amino]-1,2,4-triazin-5-ol
CID 135468316
5-methyl-2-(phenylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 14547529

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one (CID 737018) is 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one is Cc1nnc(Nc2ccccc2)n(N)c1=O.
What is the InChIKey of 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one?
The InChIKey is KQCIEKNGPGUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-9(16)15(11)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one?
4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 737018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).