ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C9H13N3 — CID 91210925

IUPACethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.Cc1nnc2ccccn12
InChIInChI=1S/C7H7N3.C2H6/c1-6-8-9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H3;1-2H3
InChIKeyABKAHODWLWFKMY-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.06
Rot. Bonds

About ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine

ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 91210925) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID91210925
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.Cc1nnc2ccccn12
InChIInChI=1S/C7H7N3.C2H6/c1-6-8-9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H3;1-2H3
InChIKeyABKAHODWLWFKMY-UHFFFAOYSA-N
XLogP2.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83679024
2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine
CID 176758475
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 18128609
3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine
CID 131165709
2-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 115428038
4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
CID 24694789
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
CID 175937217
CID 175937217
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 71308104
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 91210925) is ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine is CC.Cc1nnc2ccccn12.
What is the InChIKey of ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ABKAHODWLWFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-6-8-9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 163.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 91210925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).