5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine

C6H6ClN3 — CID 142531349

IUPAC5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine
SMILESClC1=CC2=CNNN2C=C1
InChIInChI=1S/C6H6ClN3/c7-5-1-2-10-6(3-5)4-8-9-10/h1-4,8-9H
InChIKeyFSEPILNFZQNOCT-UHFFFAOYSA-N
MW155.59 g/mol
LogP0.80
Rot. Bonds

About 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine

5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine (PubChem CID 142531349) has the molecular formula C6H6ClN3 and a molecular weight of 155.59 g/mol. Its IUPAC name is 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine
PubChem CID142531349
Molecular FormulaC6H6ClN3
Molecular Weight155.59 g/mol
Exact Mass155.03
IUPAC Name5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine
SMILESClC1=CC2=CNNN2C=C1
InChIInChI=1S/C6H6ClN3/c7-5-1-2-10-6(3-5)4-8-9-10/h1-4,8-9H
InChIKeyFSEPILNFZQNOCT-UHFFFAOYSA-N
XLogP0.80
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.59
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine (CID 142531349) is 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine is ClC1=CC2=CNNN2C=C1.
What is the InChIKey of 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine?
The InChIKey is FSEPILNFZQNOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3/c7-5-1-2-10-6(3-5)4-8-9-10/h1-4,8-9H.
What are the key properties of 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine?
5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine has a molecular weight of 155.59 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dihydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 142531349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).