2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine

C15H18N6 — CID 63332874

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CCNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N6/c1-20-12-17-18-15(20)7-9-16-11-13-8-10-21(19-13)14-5-3-2-4-6-14/h2-6,8,10,12,16H,7,9,11H2,1H3
InChIKeyGCGXIAVNYHBFPQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.33
Rot. Bonds6

About 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine (PubChem CID 63332874) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
PubChem CID63332874
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CCNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N6/c1-20-12-17-18-15(20)7-9-16-11-13-8-10-21(19-13)14-5-3-2-4-6-14/h2-6,8,10,12,16H,7,9,11H2,1H3
InChIKeyGCGXIAVNYHBFPQ-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-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 63332359
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N-[(2,6-dichlorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329248
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 63332232
2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 63328798
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
N-[(2-ethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202283

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine (CID 63332874) is 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine is Cn1cnnc1CCNCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is GCGXIAVNYHBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-12-17-18-15(20)7-9-16-11-13-8-10-21(19-13)14-5-3-2-4-6-14/h2-6,8,10,12,16H,7,9,11H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-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-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 63332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).