[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine

C14H26N4O — CID 103167646

IUPAC[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCOC1CC(Cc2nnc(CN)n2C(C)(C)C)C1
InChIInChI=1S/C14H26N4O/c1-5-19-11-6-10(7-11)8-12-16-17-13(9-15)18(12)14(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyMSIGQZONGWSZCT-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.85
Rot. Bonds5

About [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine

[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 103167646) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID103167646
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCOC1CC(Cc2nnc(CN)n2C(C)(C)C)C1
InChIInChI=1S/C14H26N4O/c1-5-19-11-6-10(7-11)8-12-16-17-13(9-15)18(12)14(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyMSIGQZONGWSZCT-UHFFFAOYSA-N
XLogP1.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-3-[4-methyl-5-({methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}methyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91777840
[cis-3-(4-ethyl-5-{[4-(2-methoxyethyl)piperidin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91786341
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
5-[(3-Ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 103162635
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 103162637
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 103162639
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 103162645
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 103162649
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 103162650
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103162662
(3S)-1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103162664

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 103167646) is [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine is CCOC1CC(Cc2nnc(CN)n2C(C)(C)C)C1.
What is the InChIKey of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MSIGQZONGWSZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-19-11-6-10(7-11)8-12-16-17-13(9-15)18(12)14(2,3)4/h10-11H,5-9,15H2,1-4H3.
What are the key properties of [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 103167646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).