(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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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).