4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol

C16H21N3O — CID 138056381

IUPAC4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C16H21N3O/c1-16(2,20)8-9-19-11-15(17-18-19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,20H,3-5,8-9H2,1-2H3
InChIKeyWLEORQGRDJYLTN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds4

About 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol

4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol (PubChem CID 138056381) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol
PubChem CID138056381
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C16H21N3O/c1-16(2,20)8-9-19-11-15(17-18-19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,20H,3-5,8-9H2,1-2H3
InChIKeyWLEORQGRDJYLTN-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide
CID 138013726
[7-[1-(2-methoxyethyl)triazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-methylborinic acid
CID 156679997
1-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethyl]triazole-4-carboxylic acid
CID 61303951
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848732
4-(2,3-dihydro-1H-inden-5-yl)imidazole-1,2-diamine
CID 82284524
[6-(2,3-dihydro-1H-inden-5-yl)pyridazin-3-yl]methanamine
CID 82287618
[1-(3-hydroxy-3-methylbutyl)triazol-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 167918466
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 59472728
3-(chloromethyl)-5-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,4-triazole
CID 115398430
3-[1-(3-hydroxy-3-methylbutyl)triazol-4-yl]propanoic acid
CID 107460771
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol (CID 138056381) is 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCn1cc(-c2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is WLEORQGRDJYLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,20)8-9-19-11-15(17-18-19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,20H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol?
4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 138056381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).