1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol

C17H22N4O — CID 139010761

IUPAC1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-2-3-9-15(22)12-20-11-10-17-16(13-20)18-19-21(17)14-7-5-4-6-8-14/h2,4-8,15,22H,1,3,9-13H2
InChIKeyMAMIDCVYWJZUIC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.95
Rot. Bonds6

About 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol

1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol (PubChem CID 139010761) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
PubChem CID139010761
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-2-3-9-15(22)12-20-11-10-17-16(13-20)18-19-21(17)14-7-5-4-6-8-14/h2,4-8,15,22H,1,3,9-13H2
InChIKeyMAMIDCVYWJZUIC-UHFFFAOYSA-N
XLogP1.95
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol with MolForge

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Related Compounds

1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol
CID 110027663
5-ethyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 920235
5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
CID 2872006
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
CID 10199558
1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 154770298
3-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 13110863
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527265
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 124616946
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
CID 3725440
(2R)-1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 93226210

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol?
The IUPAC name of 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol (CID 139010761) is 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol.
What is the SMILES notation for 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol?
The canonical SMILES for 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol is C=CCCC(O)CN1CCc2c(nnn2-c2ccccc2)C1.
What is the InChIKey of 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol?
The InChIKey is MAMIDCVYWJZUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-9-15(22)12-20-11-10-17-16(13-20)18-19-21(17)14-7-5-4-6-8-14/h2,4-8,15,22H,1,3,9-13H2.
What are the key properties of 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol?
1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol has a molecular weight of 298.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol is sourced from PubChem (CID 139010761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).