5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine

C10H13N5O — CID 12875776

IUPAC5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCOCc2ccccn2)n1
InChIInChI=1S/C10H13N5O/c11-10-13-9(14-15-10)4-6-16-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7H2,(H3,11,13,14,15)
InChIKeyMZEHDALTDXMICA-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.54
Rot. Bonds5

About 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine

5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 12875776) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID12875776
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCOCc2ccccn2)n1
InChIInChI=1S/C10H13N5O/c11-10-13-9(14-15-10)4-6-16-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7H2,(H3,11,13,14,15)
InChIKeyMZEHDALTDXMICA-UHFFFAOYSA-N
XLogP0.54
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanol
CID 13500900
2-[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918317
5-[(4-fluorophenyl)methoxymethyl]-2-(1H-1,2,4-triazol-5-yl)pyridine
CID 140298241
3-fluoro-6-(methoxymethyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 169981051
2-(3-fluoro-2-pyridinyl)ethyl 1H-1,2,4-triazole-5-carboxylate
CID 175470386
2-{3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 918319
2-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 46398007
(5-(Pyridin-2-yl)-1H-1,2,4-triazol-3-yl)methanol
CID 21039615
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167842566
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
CID 72122698
3-[({1-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-3-yl}oxy)methyl]pyridine
CID 132425722
5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylpyridine
CID 53631349

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine (CID 12875776) is 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(CCOCc2ccccn2)n1.
What is the InChIKey of 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is MZEHDALTDXMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-10-13-9(14-15-10)4-6-16-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7H2,(H3,11,13,14,15).
What are the key properties of 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 219.25 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 12875776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).