2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine

C7H14N4 — CID 82467863

IUPAC2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1nc(CCN)nn1C
InChIInChI=1S/C7H14N4/c1-3-7-9-6(4-5-8)10-11(7)2/h3-5,8H2,1-2H3
InChIKeyKZRNLNZAYWFQSC-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.12
Rot. Bonds3

About 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine

2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 82467863) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID82467863
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCc1nc(CCN)nn1C
InChIInChI=1S/C7H14N4/c1-3-7-9-6(4-5-8)10-11(7)2/h3-5,8H2,1-2H3
InChIKeyKZRNLNZAYWFQSC-UHFFFAOYSA-N
XLogP-0.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491
2-[5-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481043
2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
2-[5-[(4-ethoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 98017072
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 82468057

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine (CID 82467863) is 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine is CCc1nc(CCN)nn1C.
What is the InChIKey of 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is KZRNLNZAYWFQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-7-9-6(4-5-8)10-11(7)2/h3-5,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine?
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 154.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 82467863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).