1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol

C9H15N3O — CID 130943528

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CC(C)C2)n1C
InChIInChI=1S/C9H15N3O/c1-6-4-9(13,5-6)8-11-10-7(2)12(8)3/h6,13H,4-5H2,1-3H3
InChIKeyZYLCSDHUVUBSTD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.74
Rot. Bonds1

About 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol

1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol (PubChem CID 130943528) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol
PubChem CID130943528
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CC(C)C2)n1C
InChIInChI=1S/C9H15N3O/c1-6-4-9(13,5-6)8-11-10-7(2)12(8)3/h6,13H,4-5H2,1-3H3
InChIKeyZYLCSDHUVUBSTD-UHFFFAOYSA-N
XLogP0.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,3-Difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130979287
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 83384673
[4-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 90815098
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
3-Cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]azetidin-3-ol
CID 65940346
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-3-propylazetidin-3-ol
CID 65941163
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66179209
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
[5-(1-Cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 83152833
[5-(Cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167574
[5-(Cyclobutylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103167575

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol (CID 130943528) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol is Cc1nnc(C2(O)CC(C)C2)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol?
The InChIKey is ZYLCSDHUVUBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-9(13,5-6)8-11-10-7(2)12(8)3/h6,13H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methylcyclobutan-1-ol is sourced from PubChem (CID 130943528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).