2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol

C14H18N4O — CID 112633683

IUPAC2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H18N4O/c1-14(2)12(9-13(14)19)17-10-3-5-11(6-4-10)18-15-7-8-16-18/h3-8,12-13,17,19H,9H2,1-2H3
InChIKeyWFAUSAPWSMIGPY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds3

About 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol

2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol (PubChem CID 112633683) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
PubChem CID112633683
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H18N4O/c1-14(2)12(9-13(14)19)17-10-3-5-11(6-4-10)18-15-7-8-16-18/h3-8,12-13,17,19H,9H2,1-2H3
InChIKeyWFAUSAPWSMIGPY-UHFFFAOYSA-N
XLogP1.84
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
CID 112633777
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
CID 115972133
3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633697
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol (CID 112633683) is 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol?
The InChIKey is WFAUSAPWSMIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2)12(9-13(14)19)17-10-3-5-11(6-4-10)18-15-7-8-16-18/h3-8,12-13,17,19H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol?
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol is sourced from PubChem (CID 112633683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).