2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

C14H21N5 — CID 117236422

IUPAC2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2cc(N3CCNCC3)ccn2n1
InChIInChI=1S/C14H21N5/c1-14(2,3)13-16-12-10-11(4-7-19(12)17-13)18-8-5-15-6-9-18/h4,7,10,15H,5-6,8-9H2,1-3H3
InChIKeyCTNVOHJGOXQCHC-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.44
Rot. Bonds1

About 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117236422) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117236422
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1nc2cc(N3CCNCC3)ccn2n1
InChIInChI=1S/C14H21N5/c1-14(2,3)13-16-12-10-11(4-7-19(12)17-13)18-8-5-15-6-9-18/h4,7,10,15H,5-6,8-9H2,1-3H3
InChIKeyCTNVOHJGOXQCHC-UHFFFAOYSA-N
XLogP1.44
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117236349
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 141379099
3-tert-butyl-6-piperazin-1-ylisoquinoline
CID 155245181
3-(7-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 117236286
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
2-(2-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236435
2-[(4-methylphenyl)methyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236404
2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
CID 146276335
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 117236422) is 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1nc2cc(N3CCNCC3)ccn2n1.
What is the InChIKey of 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CTNVOHJGOXQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)13-16-12-10-11(4-7-19(12)17-13)18-8-5-15-6-9-18/h4,7,10,15H,5-6,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 259.36 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).