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

C9H15N3 — CID 142283394

IUPACethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CN1CN2C=CC=CC2=N1
InChIInChI=1S/C7H9N3.C2H6/c1-9-6-10-5-3-2-4-7(10)8-9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyPFPXGCFEHUMTTI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.61
Rot. Bonds

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

ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142283394) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142283394
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CN1CN2C=CC=CC2=N1
InChIInChI=1S/C7H9N3.C2H6/c1-9-6-10-5-3-2-4-7(10)8-9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyPFPXGCFEHUMTTI-UHFFFAOYSA-N
XLogP1.61
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine (CID 142283394) is ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine is CC.CN1CN2C=CC=CC2=N1.
What is the InChIKey of ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PFPXGCFEHUMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-9-6-10-5-3-2-4-7(10)8-9;1-2/h2-5H,6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine?
ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 165.24 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142283394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).