2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine

C15H18N6 — CID 104694524

IUPAC2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCn1nccc1CCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N6/c1-20-14(8-10-17-20)7-9-16-11-13-12-18-21(19-13)15-5-3-2-4-6-15/h2-6,8,10,12,16H,7,9,11H2,1H3
InChIKeyAJPBITOFOWSRRS-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.33
Rot. Bonds6

About 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 104694524) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID104694524
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCn1nccc1CCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N6/c1-20-14(8-10-17-20)7-9-16-11-13-12-18-21(19-13)15-5-3-2-4-6-15/h2-6,8,10,12,16H,7,9,11H2,1H3
InChIKeyAJPBITOFOWSRRS-UHFFFAOYSA-N
XLogP1.33
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
CID 28774706
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
methyl 4-[(2-phenyltriazol-4-yl)methylamino]butanoate
CID 60782497
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine
CID 106583004

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine (CID 104694524) is 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine is Cn1nccc1CCNCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is AJPBITOFOWSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-14(8-10-17-20)7-9-16-11-13-12-18-21(19-13)15-5-3-2-4-6-15/h2-6,8,10,12,16H,7,9,11H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104694524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).