N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine

C12H15N5O2 — CID 123281807

IUPACN-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine
SMILESCON=C(C)c1ccc(OCc2n[nH]c(C)n2)nc1
InChIInChI=1S/C12H15N5O2/c1-8(17-18-3)10-4-5-12(13-6-10)19-7-11-14-9(2)15-16-11/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyDJKUXRKPEXUAEF-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.46
Rot. Bonds5

About N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine

N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine (PubChem CID 123281807) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine
PubChem CID123281807
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine
SMILESCON=C(C)c1ccc(OCc2n[nH]c(C)n2)nc1
InChIInChI=1S/C12H15N5O2/c1-8(17-18-3)10-4-5-12(13-6-10)19-7-11-14-9(2)15-16-11/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyDJKUXRKPEXUAEF-UHFFFAOYSA-N
XLogP1.46
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
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

1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine
CID 159592567
1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol
CID 173318346
N-[[3-methoxy-4-(trifluoromethyl)phenyl]methoxy]-1-[6-(2H-tetrazol-5-ylmethoxy)-3-pyridinyl]ethanimine
CID 118954275
(5-methyl-1H-1,2,4-triazol-3-yl)methyl acetate
CID 127018420
(E)-1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxyethanimine
CID 22963017
3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine
CID 130603980
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
CID 134388914
1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954181
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine
CID 100672675
1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone
CID 144887538

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine?
The IUPAC name of N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine (CID 123281807) is N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine.
What is the SMILES notation for N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine?
The canonical SMILES for N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine is CON=C(C)c1ccc(OCc2n[nH]c(C)n2)nc1.
What is the InChIKey of N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine?
The InChIKey is DJKUXRKPEXUAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(17-18-3)10-4-5-12(13-6-10)19-7-11-14-9(2)15-16-11/h4-6H,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine?
N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine has a molecular weight of 261.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine is sourced from PubChem (CID 123281807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).