4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one

C10H12N6O — CID 23412465

IUPAC4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccncc2)n(N)c1=O
InChIInChI=1S/C10H12N6O/c1-7-9(17)16(11)10(15-14-7)13-6-8-2-4-12-5-3-8/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyQOLMDILLZRKVQZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.33
Rot. Bonds3

About 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one

4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one (PubChem CID 23412465) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one
PubChem CID23412465
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccncc2)n(N)c1=O
InChIInChI=1S/C10H12N6O/c1-7-9(17)16(11)10(15-14-7)13-6-8-2-4-12-5-3-8/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyQOLMDILLZRKVQZ-UHFFFAOYSA-N
XLogP-0.33
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114383127
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
4-methyl-1-propan-2-yl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560368
1-ethyl-4-methyl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560389
3-(methylamino)-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 134333721
ethane;pyridin-4-ylmethylurea
CID 144877282
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 112723167
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
2-tert-butyl-4-methylsulfonyl-5-(pyridin-4-ylmethylamino)pyridazin-3-one
CID 19081407

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one (CID 23412465) is 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one is Cc1nnc(NCc2ccncc2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one?
The InChIKey is QOLMDILLZRKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7-9(17)16(11)10(15-14-7)13-6-8-2-4-12-5-3-8/h2-5H,6,11H2,1H3,(H,13,15).
What are the key properties of 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one?
4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one has a molecular weight of 232.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one is sourced from PubChem (CID 23412465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).