2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol

C15H22N4O — CID 64529978

IUPAC2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCc1ncn[nH]1)CC(C)(C)CC2O
InChIInChI=1S/C15H22N4O/c1-10-6-11-12(7-15(2,3)8-13(11)20)19(10)5-4-14-16-9-17-18-14/h6,9,13,20H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyXWAKQFRCQSBARR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds3

About 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol (PubChem CID 64529978) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
PubChem CID64529978
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCc1ncn[nH]1)CC(C)(C)CC2O
InChIInChI=1S/C15H22N4O/c1-10-6-11-12(7-15(2,3)8-13(11)20)19(10)5-4-14-16-9-17-18-14/h6,9,13,20H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyXWAKQFRCQSBARR-UHFFFAOYSA-N
XLogP2.16
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
CID 64530565
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731
1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107817926
1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62132538
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
CID 107586552

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol (CID 64529978) is 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CCc1ncn[nH]1)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol?
The InChIKey is XWAKQFRCQSBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-6-11-12(7-15(2,3)8-13(11)20)19(10)5-4-14-16-9-17-18-14/h6,9,13,20H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol has a molecular weight of 274.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 64529978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).