6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one

C10H10N6O — CID 2789675

IUPAC6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1cccnc1
InChIInChI=1S/C10H10N6O/c1-7-9(13-10(17)16-14-7)15-12-6-8-3-2-4-11-5-8/h2-6H,1H3,(H2,13,15,16,17)
InChIKeyBJVPJNLAZDURDJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.31
Rot. Bonds3

About 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one

6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 2789675) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID2789675
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1cccnc1
InChIInChI=1S/C10H10N6O/c1-7-9(13-10(17)16-14-7)15-12-6-8-3-2-4-11-5-8/h2-6H,1H3,(H2,13,15,16,17)
InChIKeyBJVPJNLAZDURDJ-UHFFFAOYSA-N
XLogP0.31
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789664
5-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 136853969
5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412161
6-methyl-5-[(2E)-2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514489
6-methyl-5-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 7231540
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186
6-methyl-5-[2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71966404
5-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412297
5-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 2791357
6-methyl-5-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71967014
5-[(2E)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514462

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one (CID 2789675) is 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1NN=Cc1cccnc1.
What is the InChIKey of 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is BJVPJNLAZDURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-7-9(13-10(17)16-14-7)15-12-6-8-3-2-4-11-5-8/h2-6H,1H3,(H2,13,15,16,17).
What are the key properties of 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one?
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 230.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).