2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

C10H14N6 — CID 63332232

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCc1ccncn1
InChIInChI=1S/C10H14N6/c1-16-8-14-15-10(16)3-5-11-6-9-2-4-12-7-13-9/h2,4,7-8,11H,3,5-6H2,1H3
InChIKeyQPSDQQMXEXMMEU-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.06
Rot. Bonds5

About 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 63332232) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID63332232
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCc1ccncn1
InChIInChI=1S/C10H14N6/c1-16-8-14-15-10(16)3-5-11-6-9-2-4-12-7-13-9/h2,4,7-8,11H,3,5-6H2,1H3
InChIKeyQPSDQQMXEXMMEU-UHFFFAOYSA-N
XLogP-0.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.06
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

2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 63332413
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
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-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332661
N-[(4-tert-butylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328712
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 63329034
4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730834
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202481
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269075
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
N-[(5-chlorofuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332265

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 63332232) is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine is Cn1cnnc1CCNCc1ccncn1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is QPSDQQMXEXMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16-8-14-15-10(16)3-5-11-6-9-2-4-12-7-13-9/h2,4,7-8,11H,3,5-6H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 218.26 g/mol, XLogP of -0.06, 5 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-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 63332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).