5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole

C10H18N4 — CID 84665686

IUPAC5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
SMILESCn1nc(C(C)(C)C)nc1C1CNC1
InChIInChI=1S/C10H18N4/c1-10(2,3)9-12-8(14(4)13-9)7-5-11-6-7/h7,11H,5-6H2,1-4H3
InChIKeyKXIGWGMQFPHJJU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.80
Rot. Bonds1

About 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole

5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole (PubChem CID 84665686) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
PubChem CID84665686
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
SMILESCn1nc(C(C)(C)C)nc1C1CNC1
InChIInChI=1S/C10H18N4/c1-10(2,3)9-12-8(14(4)13-9)7-5-11-6-7/h7,11H,5-6H2,1-4H3
InChIKeyKXIGWGMQFPHJJU-UHFFFAOYSA-N
XLogP0.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62720908
5-(azetidin-3-ylmethyl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 64610850
5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 144898582
5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole
CID 84692015
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114392968
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115278225
3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
CID 84649668
3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 63032199
(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62721086
(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol
CID 156722449
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
CID 116893271
1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
CID 62720379

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole (CID 84665686) is 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole is Cn1nc(C(C)(C)C)nc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole?
The InChIKey is KXIGWGMQFPHJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)9-12-8(14(4)13-9)7-5-11-6-7/h7,11H,5-6H2,1-4H3.
What are the key properties of 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole?
5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 84665686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).