2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol

C19H23N5O — CID 71007540

IUPAC2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12
InChIInChI=1S/C19H23N5O/c1-12-4-5-15-13(9-12)19-16-3-2-7-23(16)8-6-17(19)24(15)11-18(25)14-10-20-22-21-14/h4-5,9-10,16,18,25H,2-3,6-8,11H2,1H3,(H,20,21,22)
InChIKeyZPACMDNZWLXVGC-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.49
Rot. Bonds3

About 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol

2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol (PubChem CID 71007540) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
PubChem CID71007540
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12
InChIInChI=1S/C19H23N5O/c1-12-4-5-15-13(9-12)19-16-3-2-7-23(16)8-6-17(19)24(15)11-18(25)14-10-20-22-21-14/h4-5,9-10,16,18,25H,2-3,6-8,11H2,1H3,(H,20,21,22)
InChIKeyZPACMDNZWLXVGC-UHFFFAOYSA-N
XLogP2.49
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(3-tritylimidazol-4-yl)ethanol
CID 71268624
3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
CID 71007695
(1S)-2-[(11cR)-9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol
CID 118481729
ethyl 7-(2-hydroxy-2-pyridin-4-ylethyl)-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole-10-carboxylate
CID 118481762
1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
CID 118011588
2-(4-fluorophenyl)-N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-amine;methane
CID 161420871
2-(8-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 73331394
(1S)-2-(8-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118481782
7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
CID 71008314
2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118489670
7-(6,7-dihydrocyclopenta[c]pyridin-5-ylidenemethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
CID 123933806
2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol
CID 71008424

Frequently Asked Questions

What is the IUPAC name of 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol?
The IUPAC name of 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol (CID 71007540) is 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2cn[nH]n2)CCN2CCCC12.
What is the InChIKey of 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol?
The InChIKey is ZPACMDNZWLXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-4-5-15-13(9-12)19-16-3-2-7-23(16)8-6-17(19)24(15)11-18(25)14-10-20-22-21-14/h4-5,9-10,16,18,25H,2-3,6-8,11H2,1H3,(H,20,21,22).
What are the key properties of 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol?
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol has a molecular weight of 337.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 71007540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).