1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol

C10H17N3O — CID 130554917

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCCn1ncnc1C1(O)CCC1(C)C
InChIInChI=1S/C10H17N3O/c1-4-13-8(11-7-12-13)10(14)6-5-9(10,2)3/h7,14H,4-6H2,1-3H3
InChIKeyTWQIAHUUYKWIAW-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 130554917) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
PubChem CID130554917
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCCn1ncnc1C1(O)CCC1(C)C
InChIInChI=1S/C10H17N3O/c1-4-13-8(11-7-12-13)10(14)6-5-9(10,2)3/h7,14H,4-6H2,1-3H3
InChIKeyTWQIAHUUYKWIAW-UHFFFAOYSA-N
XLogP1.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Ethyl-4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 167992541
2-Cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 14326269
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
3-(1-Ethyl-1,2,4-triazol-3-yl)pentan-3-ol
CID 89334364
1-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65212577
2,3-Dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65603097
2-Cyclopropyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65604535
2-Cyclopropyl-1-(2-ethyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65604537
2-Cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65604538
2,3-Dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65609931
1-(2-Ethyl-1,2,4-triazol-3-yl)-2,3-dimethylbutan-2-ol
CID 65609933

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol (CID 130554917) is 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol is CCn1ncnc1C1(O)CCC1(C)C.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is TWQIAHUUYKWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13-8(11-7-12-13)10(14)6-5-9(10,2)3/h7,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130554917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).