N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide

C14H20N6O2 — CID 144783872

IUPACN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(C)c1COc1nncnc1C.NNC=O
InChIInChI=1S/C13H16N4O.CH4N2O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13;2-3-1-4/h4-6,8,14H,7H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyVYRRKUDWQXSGOV-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.72
Rot. Bonds5

About N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide

N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide (PubChem CID 144783872) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide
PubChem CID144783872
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(C)c1COc1nncnc1C.NNC=O
InChIInChI=1S/C13H16N4O.CH4N2O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13;2-3-1-4/h4-6,8,14H,7H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyVYRRKUDWQXSGOV-UHFFFAOYSA-N
XLogP0.72
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide?
The IUPAC name of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide (CID 144783872) is N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide.
What is the SMILES notation for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide?
The canonical SMILES for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide is CNc1cccc(C)c1COc1nncnc1C.NNC=O.
What is the InChIKey of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide?
The InChIKey is VYRRKUDWQXSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.CH4N2O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13;2-3-1-4/h4-6,8,14H,7H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide?
N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide has a molecular weight of 304.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide is sourced from PubChem (CID 144783872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).