3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole

C7H12N4 — CID 79316888

IUPAC3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C1CNC1
InChIInChI=1S/C7H12N4/c1-2-11-5-9-10-7(11)6-3-8-4-6/h5-6,8H,2-4H2,1H3
InChIKeyRHWOTULEULGVDH-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.02
Rot. Bonds2

About 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole

3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole (PubChem CID 79316888) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
PubChem CID79316888
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C1CNC1
InChIInChI=1S/C7H12N4/c1-2-11-5-9-10-7(11)6-3-8-4-6/h5-6,8H,2-4H2,1H3
InChIKeyRHWOTULEULGVDH-UHFFFAOYSA-N
XLogP-0.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole (CID 79316888) is 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole is CCn1cnnc1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole?
The InChIKey is RHWOTULEULGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-11-5-9-10-7(11)6-3-8-4-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole?
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 79316888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).