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

C6H12N4 — CID 176888618

IUPAC(1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCc1n[nH]c([C@H](C)N)n1
InChIInChI=1S/C6H12N4/c1-3-5-8-6(4(2)7)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJYXQLWGUUVLZPQ-BYPYZUCNSA-N
MW140.19 g/mol
LogP0.39
Rot. Bonds2

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

(1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 176888618) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID176888618
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCc1n[nH]c([C@H](C)N)n1
InChIInChI=1S/C6H12N4/c1-3-5-8-6(4(2)7)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJYXQLWGUUVLZPQ-BYPYZUCNSA-N
XLogP0.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine
CID 176888625
(1S)-1-(3-bromo-1H-1,2,4-triazol-5-yl)ethanamine
CID 84662985
5-(chloromethyl)-3-ethyl-1H-1,2,4-triazole
CID 23462202
1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine
CID 64672682
(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine
CID 93255324
3-ethyl-5-[12-(3-ethyl-1H-1,2,4-triazol-5-yl)dodecyl]-1H-1,2,4-triazole
CID 169209972
5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 172557070
methyl 5-(1-aminoethyl)-1H-1,2,4-triazole-3-carboxylate
CID 105434405
1-[3-[2-fluoro-2,2-bis(phosphanyl)ethoxy]-1H-1,2,4-triazol-5-yl]ethanamine
CID 170255796
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
1-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82568956

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine (CID 176888618) is (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine is CCc1n[nH]c([C@H](C)N)n1.
What is the InChIKey of (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is JYXQLWGUUVLZPQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5-8-6(4(2)7)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine?
(1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 140.19 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 (1S)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 176888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).