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

C8H12N4 — CID 79317110

IUPAC3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CNC2)n1C1CC1
InChIInChI=1S/C8H12N4/c1-2-7(1)12-5-10-11-8(12)6-3-9-4-6/h5-7,9H,1-4H2
InChIKeyVTJHESLVARMQOL-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.30
Rot. Bonds2

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

3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole (PubChem CID 79317110) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole
PubChem CID79317110
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CNC2)n1C1CC1
InChIInChI=1S/C8H12N4/c1-2-7(1)12-5-10-11-8(12)6-3-9-4-6/h5-7,9H,1-4H2
InChIKeyVTJHESLVARMQOL-UHFFFAOYSA-N
XLogP0.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-yl)-4-methyl-4H-1,2,4-triazole
CID 66509943
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988419
3-Azetidin-3-yl-4-methyl-4H-1,2,4-triazole dihydrochloride; 95%
CID 75485572
2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 28064117
2-(4-Methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 60770503
(4-cyclopropyl-4H-1,2,4-triazol-3-yl)methanamine
CID 50988415
2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 50988420
2-(3-Cyclopropyl-4H-1,2,4-triazol-4-yl)ethan-1-amine
CID 53613698
3-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 81105237
1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 102869555
3-(3-Fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole
CID 130758217

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole (CID 79317110) is 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole is c1nnc(C2CNC2)n1C1CC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole?
The InChIKey is VTJHESLVARMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-7(1)12-5-10-11-8(12)6-3-9-4-6/h5-7,9H,1-4H2.
What are the key properties of 3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole?
3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole has a molecular weight of 164.21 g/mol, XLogP of 0.30, 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-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 79317110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).