N-(2H-triazol-4-ylmethyl)ethanamine

C5H10N4 — CID 54298360

IUPACN-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCNCc1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-2-6-3-5-4-7-9-8-5/h4,6H,2-3H2,1H3,(H,7,8,9)
InChIKeyRIRDEIROECQYFC-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.09
Rot. Bonds3

About N-(2H-triazol-4-ylmethyl)ethanamine

N-(2H-triazol-4-ylmethyl)ethanamine (PubChem CID 54298360) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)ethanamine
PubChem CID54298360
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCNCc1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-2-6-3-5-4-7-9-8-5/h4,6H,2-3H2,1H3,(H,7,8,9)
InChIKeyRIRDEIROECQYFC-UHFFFAOYSA-N
XLogP-0.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)ethanamine?
The IUPAC name of N-(2H-triazol-4-ylmethyl)ethanamine (CID 54298360) is N-(2H-triazol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)ethanamine?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)ethanamine is CCNCc1cn[nH]n1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)ethanamine?
The InChIKey is RIRDEIROECQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-6-3-5-4-7-9-8-5/h4,6H,2-3H2,1H3,(H,7,8,9).
What are the key properties of N-(2H-triazol-4-ylmethyl)ethanamine?
N-(2H-triazol-4-ylmethyl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 54298360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).