2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine

C11H15N5 — CID 103991490

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ccncc2)n[nH]1
InChIInChI=1S/C11H15N5/c1-9-14-11(16-15-9)4-7-13-8-10-2-5-12-6-3-10/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyMEXWCAFZYVQMGJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.84
Rot. Bonds5

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 103991490) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID103991490
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ccncc2)n[nH]1
InChIInChI=1S/C11H15N5/c1-9-14-11(16-15-9)4-7-13-8-10-2-5-12-6-3-10/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyMEXWCAFZYVQMGJ-UHFFFAOYSA-N
XLogP0.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103991484
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645187
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[(5-bromo-1-benzothiophen-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 166364342
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546351
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115640601
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645203

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 103991490) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine is Cc1nc(CCNCc2ccncc2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is MEXWCAFZYVQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-14-11(16-15-9)4-7-13-8-10-2-5-12-6-3-10/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 103991490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).