7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H19N3 — CID 155466793

IUPAC7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCC(C)(C)C1CCn2ncnc2C1
InChIInChI=1S/C11H19N3/c1-4-11(2,3)9-5-6-14-10(7-9)12-8-13-14/h8-9H,4-7H2,1-3H3
InChIKeyHWGRJCXJQJMLHE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds2

About 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155466793) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155466793
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCC(C)(C)C1CCn2ncnc2C1
InChIInChI=1S/C11H19N3/c1-4-11(2,3)9-5-6-14-10(7-9)12-8-13-14/h8-9H,4-7H2,1-3H3
InChIKeyHWGRJCXJQJMLHE-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridine
CID 15496061
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
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
7-Butan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 163390467
2-Fluoro-3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]butan-1-amine
CID 112566658
(3S)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622703
1-methyl-3-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 131941999
1-Ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 23389266
4-(2-Methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
CID 23389272
4-(4-Methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
CID 23389273
2,8-Di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58109994

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 155466793) is 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CCC(C)(C)C1CCn2ncnc2C1.
What is the InChIKey of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HWGRJCXJQJMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-11(2,3)9-5-6-14-10(7-9)12-8-13-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155466793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).