1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine

C13H24N6 — CID 126892020

IUPAC1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCCN1CCN(C2CN(Cc3cnn(C)n3)C2)CC1
InChIInChI=1S/C13H24N6/c1-3-17-4-6-19(7-5-17)13-10-18(11-13)9-12-8-14-16(2)15-12/h8,13H,3-7,9-11H2,1-2H3
InChIKeyILSXKZVKYYXJEW-UHFFFAOYSA-N
MW264.38 g/mol
LogP-0.36
Rot. Bonds4

About 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine

1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 126892020) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
PubChem CID126892020
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCCN1CCN(C2CN(Cc3cnn(C)n3)C2)CC1
InChIInChI=1S/C13H24N6/c1-3-17-4-6-19(7-5-17)13-10-18(11-13)9-12-8-14-16(2)15-12/h8,13H,3-7,9-11H2,1-2H3
InChIKeyILSXKZVKYYXJEW-UHFFFAOYSA-N
XLogP-0.36
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine (CID 126892020) is 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine is CCN1CCN(C2CN(Cc3cnn(C)n3)C2)CC1.
What is the InChIKey of 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is ILSXKZVKYYXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-3-17-4-6-19(7-5-17)13-10-18(11-13)9-12-8-14-16(2)15-12/h8,13H,3-7,9-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine?
1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 264.38 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 126892020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).