3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine

C10H12ClN3 — CID 15754777

IUPAC3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1nnc2c(Cl)cccn12
InChIInChI=1S/C10H12ClN3/c1-10(2,3)9-13-12-8-7(11)5-4-6-14(8)9/h4-6H,1-3H3
InChIKeyVMXLEPAQKDPZJQ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.68
Rot. Bonds

About 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine

3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 15754777) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID15754777
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1nnc2c(Cl)cccn12
InChIInChI=1S/C10H12ClN3/c1-10(2,3)9-13-12-8-7(11)5-4-6-14(8)9/h4-6H,1-3H3
InChIKeyVMXLEPAQKDPZJQ-UHFFFAOYSA-N
XLogP2.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
CID 83866552
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83866558
3-tert-butyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82061173
8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257396
8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39834346
(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529526
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 59825854
2-(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82529429
8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide
CID 141408708
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine (CID 15754777) is 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)c1nnc2c(Cl)cccn12.
What is the InChIKey of 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VMXLEPAQKDPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-10(2,3)9-13-12-8-7(11)5-4-6-14(8)9/h4-6H,1-3H3.
What are the key properties of 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 15754777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).