N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide

C15H21N5O2 — CID 144783761

IUPACN,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(C)c1COc1cncc(C)n1.NNC=O
InChIInChI=1S/C14H17N3O.CH4N2O/c1-10-5-4-6-13(15-3)12(10)9-18-14-8-16-7-11(2)17-14;2-3-1-4/h4-8,15H,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyHVUZTWUZVBZRLS-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.32
Rot. Bonds5

About N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide

N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide (PubChem CID 144783761) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide
PubChem CID144783761
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(C)c1COc1cncc(C)n1.NNC=O
InChIInChI=1S/C14H17N3O.CH4N2O/c1-10-5-4-6-13(15-3)12(10)9-18-14-8-16-7-11(2)17-14;2-3-1-4/h4-8,15H,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyHVUZTWUZVBZRLS-UHFFFAOYSA-N
XLogP1.32
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide?
The IUPAC name of N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide (CID 144783761) is N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide.
What is the SMILES notation for N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide?
The canonical SMILES for N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide is CNc1cccc(C)c1COc1cncc(C)n1.NNC=O.
What is the InChIKey of N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide?
The InChIKey is HVUZTWUZVBZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.CH4N2O/c1-10-5-4-6-13(15-3)12(10)9-18-14-8-16-7-11(2)17-14;2-3-1-4/h4-8,15H,9H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide?
N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide has a molecular weight of 303.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]aniline;formohydrazide is sourced from PubChem (CID 144783761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).