ethane;1-methyltriazolo[4,5-c]pyridine

C8H12N4 — CID 142555697

IUPACethane;1-methyltriazolo[4,5-c]pyridine
SMILESCC.Cn1nnc2cnccc21
InChIInChI=1S/C6H6N4.C2H6/c1-10-6-2-3-7-4-5(6)8-9-10;1-2/h2-4H,1H3;1-2H3
InChIKeyGGGQBMNUPZIHOQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.39
Rot. Bonds

About ethane;1-methyltriazolo[4,5-c]pyridine

ethane;1-methyltriazolo[4,5-c]pyridine (PubChem CID 142555697) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is ethane;1-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;1-methyltriazolo[4,5-c]pyridine
PubChem CID142555697
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Nameethane;1-methyltriazolo[4,5-c]pyridine
SMILESCC.Cn1nnc2cnccc21
InChIInChI=1S/C6H6N4.C2H6/c1-10-6-2-3-7-4-5(6)8-9-10;1-2/h2-4H,1H3;1-2H3
InChIKeyGGGQBMNUPZIHOQ-UHFFFAOYSA-N
XLogP1.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyltriazolo[4,5-c]pyridine?
The IUPAC name of ethane;1-methyltriazolo[4,5-c]pyridine (CID 142555697) is ethane;1-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;1-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for ethane;1-methyltriazolo[4,5-c]pyridine is CC.Cn1nnc2cnccc21.
What is the InChIKey of ethane;1-methyltriazolo[4,5-c]pyridine?
The InChIKey is GGGQBMNUPZIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.C2H6/c1-10-6-2-3-7-4-5(6)8-9-10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;1-methyltriazolo[4,5-c]pyridine?
ethane;1-methyltriazolo[4,5-c]pyridine has a molecular weight of 164.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 142555697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).