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

C11H20N4O — CID 103162630

IUPAC5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nnc(NC)n2C)C1
InChIInChI=1S/C11H20N4O/c1-4-16-9-5-8(6-9)7-10-13-14-11(12-2)15(10)3/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyFCTRBSYTDHVORB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.21
Rot. Bonds5

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

5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 103162630) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID103162630
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCOC1CC(Cc2nnc(NC)n2C)C1
InChIInChI=1S/C11H20N4O/c1-4-16-9-5-8(6-9)7-10-13-14-11(12-2)15(10)3/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyFCTRBSYTDHVORB-UHFFFAOYSA-N
XLogP1.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
CID 84114833
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-(cyclobutylmethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103162629
5-[(3-Ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 103162635
3-[(3-Ethoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103166419
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
3-[(3-Ethoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 103167597
3-(Chloromethyl)-5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
CID 103167609

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 103162630) is 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is CCOC1CC(Cc2nnc(NC)n2C)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is FCTRBSYTDHVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-16-9-5-8(6-9)7-10-13-14-11(12-2)15(10)3/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103162630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).