ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C8H15N3 — CID 91161806

IUPACethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.c1nnc2n1CCCC2
InChIInChI=1S/C6H9N3.C2H6/c1-2-4-9-5-7-8-6(9)3-1;1-2/h5H,1-4H2;1-2H3
InChIKeyULORAIWZTBBYHF-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.64
Rot. Bonds

About ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 91161806) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID91161806
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.c1nnc2n1CCCC2
InChIInChI=1S/C6H9N3.C2H6/c1-2-4-9-5-7-8-6(9)3-1;1-2/h5H,1-4H2;1-2H3
InChIKeyULORAIWZTBBYHF-UHFFFAOYSA-N
XLogP1.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 91161806) is ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC.c1nnc2n1CCCC2.
What is the InChIKey of ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ULORAIWZTBBYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-2-4-9-5-7-8-6(9)3-1;1-2/h5H,1-4H2;1-2H3.
What are the key properties of ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 153.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 91161806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).