6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine

C9H13N3 — CID 172607118

IUPAC6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=Cn2ncnc2CC1
InChIInChI=1S/C9H13N3/c1-7(2)8-3-4-9-10-6-11-12(9)5-8/h5-7H,3-4H2,1-2H3
InChIKeyHTMUVADRAPRLAF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.72
Rot. Bonds1

About 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine

6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 172607118) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID172607118
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=Cn2ncnc2CC1
InChIInChI=1S/C9H13N3/c1-7(2)8-3-4-9-10-6-11-12(9)5-8/h5-7H,3-4H2,1-2H3
InChIKeyHTMUVADRAPRLAF-UHFFFAOYSA-N
XLogP1.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 89603927
6,8,8-Trimethyl-7,9-dihydro-[1,2,4]triazolo[4,3-a]azepine
CID 91340879
7,7-dimethyl-8H-[1,2,4]triazolo[1,5-a]pyridine
CID 118030086
7-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123806825
3,4-Dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 123878120
1-(2-Ethylbuta-1,3-dienyl)-5-propyl-1,2,4-triazole
CID 123994001
Ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
CID 143502316
Ethane;6-methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587981
6-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587982
6-Ethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 148069634
1-Ethenyl-5-(3-methylbut-1-en-2-yl)-1,2,4-triazole
CID 156718825
Ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555160

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 172607118) is 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)C1=Cn2ncnc2CC1.
What is the InChIKey of 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HTMUVADRAPRLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)8-3-4-9-10-6-11-12(9)5-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 172607118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).