1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine

C11H13N5 — CID 132512945

IUPAC1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
SMILESCn1cc(/C=N/CCc2ccccn2)nn1
InChIInChI=1S/C11H13N5/c1-16-9-11(14-15-16)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3/b12-8+
InChIKeyMSNDWMIPQPTFEG-XYOKQWHBSA-N
MW215.26 g/mol
LogP0.87
Rot. Bonds4

About 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine

1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine (PubChem CID 132512945) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
PubChem CID132512945
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
SMILESCn1cc(/C=N/CCc2ccccn2)nn1
InChIInChI=1S/C11H13N5/c1-16-9-11(14-15-16)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3/b12-8+
InChIKeyMSNDWMIPQPTFEG-XYOKQWHBSA-N
XLogP0.87
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
CID 136836155
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 107042048
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
trizinc;bis(acetonitrile);tetrakis(2,4-dibromo-6-(2-pyridin-2-ylethyliminomethyl)phenolate);diperchlorate
CID 139088645
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
CID 167904939
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine?
The IUPAC name of 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine (CID 132512945) is 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine is Cn1cc(/C=N/CCc2ccccn2)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine?
The InChIKey is MSNDWMIPQPTFEG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-9-11(14-15-16)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3/b12-8+.
What are the key properties of 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine?
1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine has a molecular weight of 215.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine is sourced from PubChem (CID 132512945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).