2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine

C5H12N4 — CID 135382309

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine
SMILESC1CC2NNNC2CN1
InChIInChI=1S/C5H12N4/c1-2-6-3-5-4(1)7-9-8-5/h4-9H,1-3H2
InChIKeyYVKQPZIRGWDPJP-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.67
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine

2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine (PubChem CID 135382309) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine
PubChem CID135382309
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine
SMILESC1CC2NNNC2CN1
InChIInChI=1S/C5H12N4/c1-2-6-3-5-4(1)7-9-8-5/h4-9H,1-3H2
InChIKeyYVKQPZIRGWDPJP-UHFFFAOYSA-N
XLogP-1.67
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine (CID 135382309) is 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine is C1CC2NNNC2CN1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine?
The InChIKey is YVKQPZIRGWDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-2-6-3-5-4(1)7-9-8-5/h4-9H,1-3H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine?
2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine has a molecular weight of 128.18 g/mol, XLogP of -1.67, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 135382309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).