2-(3-methyltriazol-4-yl)oxyethanamine

C5H10N4O — CID 84648747

IUPAC2-(3-methyltriazol-4-yl)oxyethanamine
SMILESCn1nncc1OCCN
InChIInChI=1S/C5H10N4O/c1-9-5(4-7-8-9)10-3-2-6/h4H,2-3,6H2,1H3
InChIKeyYLZYPHOMKXHJDG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.85
Rot. Bonds3

About 2-(3-methyltriazol-4-yl)oxyethanamine

2-(3-methyltriazol-4-yl)oxyethanamine (PubChem CID 84648747) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(3-methyltriazol-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(3-methyltriazol-4-yl)oxyethanamine
PubChem CID84648747
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-(3-methyltriazol-4-yl)oxyethanamine
SMILESCn1nncc1OCCN
InChIInChI=1S/C5H10N4O/c1-9-5(4-7-8-9)10-3-2-6/h4H,2-3,6H2,1H3
InChIKeyYLZYPHOMKXHJDG-UHFFFAOYSA-N
XLogP-0.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyltriazol-4-yl)oxyethanamine?
The IUPAC name of 2-(3-methyltriazol-4-yl)oxyethanamine (CID 84648747) is 2-(3-methyltriazol-4-yl)oxyethanamine.
What is the SMILES notation for 2-(3-methyltriazol-4-yl)oxyethanamine?
The canonical SMILES for 2-(3-methyltriazol-4-yl)oxyethanamine is Cn1nncc1OCCN.
What is the InChIKey of 2-(3-methyltriazol-4-yl)oxyethanamine?
The InChIKey is YLZYPHOMKXHJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-5(4-7-8-9)10-3-2-6/h4H,2-3,6H2,1H3.
What are the key properties of 2-(3-methyltriazol-4-yl)oxyethanamine?
2-(3-methyltriazol-4-yl)oxyethanamine has a molecular weight of 142.16 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyltriazol-4-yl)oxyethanamine is sourced from PubChem (CID 84648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).