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

C10H17N3 — CID 146338795

IUPAC8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)C1CCCn2cnnc21
InChIInChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-13-7-11-12-9(8)13/h7-8H,4-6H2,1-3H3
InChIKeyOWDJUJUULQOBEA-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds

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

8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 146338795) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID146338795
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)C1CCCn2cnnc21
InChIInChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-13-7-11-12-9(8)13/h7-8H,4-6H2,1-3H3
InChIKeyOWDJUJUULQOBEA-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine
CID 20289271
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
7-(Cyclohexylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193669
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77085462
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559793
6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559822
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115
(9S)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)-9-methyl-6-azaspiro[3.5]nonane
CID 164642918
7-Butan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 163390467
3-(Difluoromethyl)-7-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 163390473

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 146338795) is 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)C1CCCn2cnnc21.
What is the InChIKey of 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OWDJUJUULQOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)8-5-4-6-13-7-11-12-9(8)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 179.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 146338795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).