2-(5-methyl-2H-triazol-4-yl)ethanamine

C5H10N4 — CID 82418801

IUPAC2-(5-methyl-2H-triazol-4-yl)ethanamine
SMILESCc1n[nH]nc1CCN
InChIInChI=1S/C5H10N4/c1-4-5(2-3-6)8-9-7-4/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyWJPJJULRQUIXOI-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.39
Rot. Bonds2

About 2-(5-methyl-2H-triazol-4-yl)ethanamine

2-(5-methyl-2H-triazol-4-yl)ethanamine (PubChem CID 82418801) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(5-methyl-2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-2H-triazol-4-yl)ethanamine
PubChem CID82418801
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-(5-methyl-2H-triazol-4-yl)ethanamine
SMILESCc1n[nH]nc1CCN
InChIInChI=1S/C5H10N4/c1-4-5(2-3-6)8-9-7-4/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyWJPJJULRQUIXOI-UHFFFAOYSA-N
XLogP-0.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2H-triazol-4-yl)ethanamine?
The IUPAC name of 2-(5-methyl-2H-triazol-4-yl)ethanamine (CID 82418801) is 2-(5-methyl-2H-triazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-2H-triazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-2H-triazol-4-yl)ethanamine is Cc1n[nH]nc1CCN.
What is the InChIKey of 2-(5-methyl-2H-triazol-4-yl)ethanamine?
The InChIKey is WJPJJULRQUIXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4-5(2-3-6)8-9-7-4/h2-3,6H2,1H3,(H,7,8,9).
What are the key properties of 2-(5-methyl-2H-triazol-4-yl)ethanamine?
2-(5-methyl-2H-triazol-4-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 82418801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).