1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole

C11H20N4 — CID 79451737

IUPAC1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole
SMILESCCCC1(Cc2ncnn2CC)CNC1
InChIInChI=1S/C11H20N4/c1-3-5-11(7-12-8-11)6-10-13-9-14-15(10)4-2/h9,12H,3-8H2,1-2H3
InChIKeyPMQBQRBPSNGUEQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds5

About 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole

1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole (PubChem CID 79451737) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole
PubChem CID79451737
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole
SMILESCCCC1(Cc2ncnn2CC)CNC1
InChIInChI=1S/C11H20N4/c1-3-5-11(7-12-8-11)6-10-13-9-14-15(10)4-2/h9,12H,3-8H2,1-2H3
InChIKeyPMQBQRBPSNGUEQ-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole (CID 79451737) is 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole is CCCC1(Cc2ncnn2CC)CNC1.
What is the InChIKey of 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole?
The InChIKey is PMQBQRBPSNGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-11(7-12-8-11)6-10-13-9-14-15(10)4-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole?
1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole has a molecular weight of 208.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3-propylazetidin-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 79451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).