[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol

C14H16ClN5O — CID 166716344

IUPAC[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(N3CC4CC4C3)nc2Cl)nn1
InChIInChI=1S/C14H16ClN5O/c15-14-9(6-20-7-12(8-21)17-18-20)1-2-13(16-14)19-4-10-3-11(10)5-19/h1-2,7,10-11,21H,3-6,8H2
InChIKeyCHIDWLUHLUJZTG-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.32
Rot. Bonds4

About [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol

[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol (PubChem CID 166716344) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
PubChem CID166716344
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(N3CC4CC4C3)nc2Cl)nn1
InChIInChI=1S/C14H16ClN5O/c15-14-9(6-20-7-12(8-21)17-18-20)1-2-13(16-14)19-4-10-3-11(10)5-19/h1-2,7,10-11,21H,3-6,8H2
InChIKeyCHIDWLUHLUJZTG-UHFFFAOYSA-N
XLogP1.32
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
CID 156825866
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
3-[6-chloro-5-(2-nitroethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 156826538
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 107309596
2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide
CID 166059269
3-[6-bromo-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747106
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
CID 62402022
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826349
3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166721960

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol (CID 166716344) is [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol is OCc1cn(Cc2ccc(N3CC4CC4C3)nc2Cl)nn1.
What is the InChIKey of [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol?
The InChIKey is CHIDWLUHLUJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-14-9(6-20-7-12(8-21)17-18-20)1-2-13(16-14)19-4-10-3-11(10)5-19/h1-2,7,10-11,21H,3-6,8H2.
What are the key properties of [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol?
[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol has a molecular weight of 305.77 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 166716344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).