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

C13H23N5O — CID 103162637

IUPAC1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCCOC1CC(Cc2nc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C13H23N5O/c1-2-19-11-7-10(8-11)9-12-15-13(17-16-12)18-5-3-14-4-6-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyICMAZRQYTYYZIC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.57
Rot. Bonds5

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

1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 103162637) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID103162637
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCCOC1CC(Cc2nc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C13H23N5O/c1-2-19-11-7-10(8-11)9-12-15-13(17-16-12)18-5-3-14-4-6-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyICMAZRQYTYYZIC-UHFFFAOYSA-N
XLogP0.57
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-4-yl)-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]propan-2-amine
CID 136571436
4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
CID 163780408
4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 55251228
4-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 63876860
[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 65333427
1-[5-(oxan-3-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65333475
1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
CID 66486972
4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine
CID 66487003
N-methyl-1-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 84114837
N-methyl-2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 84121822
4-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidine
CID 84147443
1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 84148361

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine (CID 103162637) is 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine is CCOC1CC(Cc2nc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is ICMAZRQYTYYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-19-11-7-10(8-11)9-12-15-13(17-16-12)18-5-3-14-4-6-18/h10-11,14H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 265.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 103162637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).