2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol

C9H10ClN3O — CID 116990246

IUPAC2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2cc(Cl)ccn2n1
InChIInChI=1S/C9H10ClN3O/c1-9(2,14)8-11-7-5-6(10)3-4-13(7)12-8/h3-5,14H,1-2H3
InChIKeyBSMXIRBGFXEJTA-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.61
Rot. Bonds1

About 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol

2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol (PubChem CID 116990246) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol
PubChem CID116990246
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2cc(Cl)ccn2n1
InChIInChI=1S/C9H10ClN3O/c1-9(2,14)8-11-7-5-6(10)3-4-13(7)12-8/h3-5,14H,1-2H3
InChIKeyBSMXIRBGFXEJTA-UHFFFAOYSA-N
XLogP1.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990214
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116990287
7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257910
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257860
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
CID 116990277
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117133947
7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135580
3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid
CID 122093783
7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134433

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol (CID 116990246) is 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol is CC(C)(O)c1nc2cc(Cl)ccn2n1.
What is the InChIKey of 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol?
The InChIKey is BSMXIRBGFXEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-9(2,14)8-11-7-5-6(10)3-4-13(7)12-8/h3-5,14H,1-2H3.
What are the key properties of 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol?
2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol has a molecular weight of 211.65 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol is sourced from PubChem (CID 116990246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).