3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole

C7H12N4 — CID 84649668

IUPAC3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C2CNC2)nn1C
InChIInChI=1S/C7H12N4/c1-5-9-7(10-11(5)2)6-3-8-4-6/h6,8H,3-4H2,1-2H3
InChIKeyGOCVIPPIRCGRNT-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.19
Rot. Bonds1

About 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole

3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 84649668) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
PubChem CID84649668
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C2CNC2)nn1C
InChIInChI=1S/C7H12N4/c1-5-9-7(10-11(5)2)6-3-8-4-6/h6,8H,3-4H2,1-2H3
InChIKeyGOCVIPPIRCGRNT-UHFFFAOYSA-N
XLogP-0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine
CID 82400074
5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 84665686
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
CID 116893271
3-methyl-5-(2-methyltetrazol-5-yl)piperidine
CID 130993639
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole
CID 84692015
3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
CID 130652504
6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
CID 86596193
N-[5-(azetidin-3-yl)-1,3-dimethylpyrazol-4-yl]-2-chloropropanamide
CID 165451760
3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole
CID 146511972
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 63126437

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole (CID 84649668) is 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole is Cc1nc(C2CNC2)nn1C.
What is the InChIKey of 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is GOCVIPPIRCGRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-9-7(10-11(5)2)6-3-8-4-6/h6,8H,3-4H2,1-2H3.
What are the key properties of 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole?
3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 84649668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).