4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole

C7H11N3O — CID 150112732

IUPAC4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole
SMILESCn1cnnc1CC1COC1
InChIInChI=1S/C7H11N3O/c1-10-5-8-9-7(10)2-6-3-11-4-6/h5-6H,2-4H2,1H3
InChIKeyDXPLAVIFKORHEI-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.00
Rot. Bonds2

About 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole

4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole (PubChem CID 150112732) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole
PubChem CID150112732
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole
SMILESCn1cnnc1CC1COC1
InChIInChI=1S/C7H11N3O/c1-10-5-8-9-7(10)2-6-3-11-4-6/h5-6H,2-4H2,1H3
InChIKeyDXPLAVIFKORHEI-UHFFFAOYSA-N
XLogP0.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(R)-fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875223
3-[Fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875234
4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875246
4-cyclopropyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875267
4-Ethyl-3-[fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875276
3-[Difluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875277
4-(Difluoromethyl)-3-(oxetan-3-ylmethyl)-1,2,4-triazole
CID 175875312
3-[(S)-fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875343
3-(4-Methyl-4H-1,2,4-triazol-3-yl)propan-1-ol
CID 20026678
4-Methyl-3-(2-methylpropyl)-1,2,4-triazole
CID 59871596
1-Methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 67746869
3-(3-Methoxypropyl)-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 68301577

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole (CID 150112732) is 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole is Cn1cnnc1CC1COC1.
What is the InChIKey of 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole?
The InChIKey is DXPLAVIFKORHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-5-8-9-7(10)2-6-3-11-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole?
4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole has a molecular weight of 153.19 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxetan-3-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 150112732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).