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

C6H12N4O — CID 176888625

IUPAC(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCOc1n[nH]c([C@H](C)N)n1
InChIInChI=1S/C6H12N4O/c1-3-11-6-8-5(4(2)7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyDTSSUVRATFWMFJ-BYPYZUCNSA-N
MW156.19 g/mol
LogP0.22
Rot. Bonds3

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

(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 176888625) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID176888625
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCOc1n[nH]c([C@H](C)N)n1
InChIInChI=1S/C6H12N4O/c1-3-11-6-8-5(4(2)7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyDTSSUVRATFWMFJ-BYPYZUCNSA-N
XLogP0.22
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-5-methyl-1H-1,2,4-triazole
CID 2769383
1-(5-methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 112756643
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 71757605
1-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 71757606
(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 119056912
[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride
CID 122156641
(2S)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-ol dihydrochloride
CID 137951967
(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 139022449
[3-[(1S)-1-Aminoethyl]-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
CID 155858655
{5-[(1r)-1-Aminoethyl]-4h-1,2,4-triazol-3-yl}methanol dihydrochloride
CID 155858828
{3-[(1S)-1-aminoethyl]-1H-1,2,4-triazol-5-yl}methanol dihydrochloride
CID 155943806
(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine dihydrochloride
CID 155970867

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine (CID 176888625) is (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine is CCOc1n[nH]c([C@H](C)N)n1.
What is the InChIKey of (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is DTSSUVRATFWMFJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-11-6-8-5(4(2)7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine?
(1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 156.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 176888625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).