3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol

C13H17N3O — CID 112633697

IUPAC3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-13(2)11(6-12(13)17)15-9-4-3-8-7-14-16-10(8)5-9/h3-5,7,11-12,15,17H,6H2,1-2H3,(H,14,16)
InChIKeyUPRWYIKINSKBTK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds2

About 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol

3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633697) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633697
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-13(2)11(6-12(13)17)15-9-4-3-8-7-14-16-10(8)5-9/h3-5,7,11-12,15,17H,6H2,1-2H3,(H,14,16)
InChIKeyUPRWYIKINSKBTK-UHFFFAOYSA-N
XLogP2.13
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246
N-(3-methylcyclopentyl)-1H-indazol-6-amine
CID 64501097
N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
CID 79959113
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
CID 115972133
N-(3-methylcyclohexyl)-1H-indazol-6-amine
CID 43743422
N-(5-methylthiolan-3-yl)-1H-indazol-6-amine
CID 79941917
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
N-(3-propan-2-ylcyclohexyl)-1H-indazol-6-amine
CID 107448253
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol (CID 112633697) is 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is UPRWYIKINSKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)11(6-12(13)17)15-9-4-3-8-7-14-16-10(8)5-9/h3-5,7,11-12,15,17H,6H2,1-2H3,(H,14,16).
What are the key properties of 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol?
3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).