7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C16H20N4O — CID 114685294

IUPAC7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCN2CCCC2C1
InChIInChI=1S/C16H20N4O/c21-16(8-10-19-9-4-7-14(19)11-16)15-12-17-18-20(15)13-5-2-1-3-6-13/h1-3,5-6,12,14,21H,4,7-11H2
InChIKeyZIGDIWIRTPJZSR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.71
Rot. Bonds2

About 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 114685294) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID114685294
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCN2CCCC2C1
InChIInChI=1S/C16H20N4O/c21-16(8-10-19-9-4-7-14(19)11-16)15-12-17-18-20(15)13-5-2-1-3-6-13/h1-3,5-6,12,14,21H,4,7-11H2
InChIKeyZIGDIWIRTPJZSR-UHFFFAOYSA-N
XLogP1.71
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
CID 114684542
4-(3-phenyltriazol-4-yl)azepan-4-ol
CID 114685429
3,3-dimethyl-1-(3-phenyltriazol-4-yl)cyclopentan-1-ol
CID 114685264
2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 165347131
7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 103130263
2-cyclopropyl-2-(3-phenyltriazol-4-yl)azepane
CID 114688475
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 129396439
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 106971642
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69182814
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
1-cyclopropyl-4-(4-phenylphenyl)piperidin-4-ol
CID 10493965

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 114685294) is 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(c2cnnn2-c2ccccc2)CCN2CCCC2C1.
What is the InChIKey of 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is ZIGDIWIRTPJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(8-10-19-9-4-7-14(19)11-16)15-12-17-18-20(15)13-5-2-1-3-6-13/h1-3,5-6,12,14,21H,4,7-11H2.
What are the key properties of 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 284.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 114685294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).