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

C10H18N4O — CID 103162635

IUPAC5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nc(N)n(C)n2)C1
InChIInChI=1S/C10H18N4O/c1-3-15-8-4-7(5-8)6-9-12-10(11)14(2)13-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyUMLHDPLAZUEKOP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds4

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

5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 103162635) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID103162635
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nc(N)n(C)n2)C1
InChIInChI=1S/C10H18N4O/c1-3-15-8-4-7(5-8)6-9-12-10(11)14(2)13-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyUMLHDPLAZUEKOP-UHFFFAOYSA-N
XLogP0.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(oxan-4-yl)-1H-1,2,4-triazol-5-amine
CID 84110719
1-Methyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
CID 84110720
N,2-dimethyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
CID 84114834
N,1-dimethyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
CID 84114835
5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
CID 103162624
5-[(3-Ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine
CID 103162626
5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103162630
3-[(3-Ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
CID 103167585
4-Tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
CID 103167589
3-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
CID 103167591
3-[(3-Ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole
CID 103167593
3-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
CID 103167595

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 103162635) is 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine is CCOC1CC(Cc2nc(N)n(C)n2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is UMLHDPLAZUEKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-15-8-4-7(5-8)6-9-12-10(11)14(2)13-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).