5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine

C9H16N4O — CID 103162624

IUPAC5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N4O/c1-2-14-7-3-6(4-7)5-8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyGDOISZWEUDIYLS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.74
Rot. Bonds4

About 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine

5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 103162624) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
PubChem CID103162624
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N4O/c1-2-14-7-3-6(4-7)5-8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyGDOISZWEUDIYLS-UHFFFAOYSA-N
XLogP0.74
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine (CID 103162624) is 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine is CCOC1CC(Cc2nc(N)n[nH]2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GDOISZWEUDIYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-14-7-3-6(4-7)5-8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 103162624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).