3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine

C8H11N3 — CID 166898121

IUPAC3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine
SMILESCC1=CN2NNC(C)=C2C=C1
InChIInChI=1S/C8H11N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,9-10H,1-2H3
InChIKeyJKRSNPIDCQTEKH-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.02
Rot. Bonds

About 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine

3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine (PubChem CID 166898121) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine
PubChem CID166898121
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine
SMILESCC1=CN2NNC(C)=C2C=C1
InChIInChI=1S/C8H11N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,9-10H,1-2H3
InChIKeyJKRSNPIDCQTEKH-UHFFFAOYSA-N
XLogP1.02
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine?
The IUPAC name of 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine (CID 166898121) is 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine is CC1=CN2NNC(C)=C2C=C1.
What is the InChIKey of 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine?
The InChIKey is JKRSNPIDCQTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,9-10H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine?
3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 166898121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).