6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol

C12H17FN4O — CID 107850356

IUPAC6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4O/c13-10-5-6-11-15-12(16-17(11)9-10)14-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H,14,16)
InChIKeyZPZFJIVHRCAVLA-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.83
Rot. Bonds7

About 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol

6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol (PubChem CID 107850356) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
PubChem CID107850356
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4O/c13-10-5-6-11-15-12(16-17(11)9-10)14-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H,14,16)
InChIKeyZPZFJIVHRCAVLA-UHFFFAOYSA-N
XLogP1.83
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106326077
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106430620
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
6-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104973204
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
4-[[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181612
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105

Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol (CID 107850356) is 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol is OCCCCCCNc1nc2ccc(F)cn2n1.
What is the InChIKey of 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol?
The InChIKey is ZPZFJIVHRCAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c13-10-5-6-11-15-12(16-17(11)9-10)14-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H,14,16).
What are the key properties of 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol?
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol has a molecular weight of 252.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 107850356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).