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

C9H15N3O — CID 130927700

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2C)n1C
InChIInChI=1S/C9H15N3O/c1-6-4-5-9(6,13)8-11-10-7(2)12(8)3/h6,13H,4-5H2,1-3H3
InChIKeyMUYCBOZBGCBYKK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.74
Rot. Bonds1

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

1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol (PubChem CID 130927700) 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)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol
PubChem CID130927700
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol
SMILESCc1nnc(C2(O)CCC2C)n1C
InChIInChI=1S/C9H15N3O/c1-6-4-5-9(6,13)8-11-10-7(2)12(8)3/h6,13H,4-5H2,1-3H3
InChIKeyMUYCBOZBGCBYKK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
1-(4-Methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 83385158
[5-(Cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103167568
[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
[5-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167576
[5-(Cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167577
[5-(Cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103167579
[5-[(1-Methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103558661
[4-Ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103558664

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol (CID 130927700) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol is Cc1nnc(C2(O)CCC2C)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylcyclobutan-1-ol?
The InChIKey is MUYCBOZBGCBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-5-9(6,13)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)-2-methylcyclobutan-1-ol?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-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)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 130927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).