8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C10H9ClF3N3 — CID 142870114

IUPAC8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C10H9ClF3N3/c1-2-3-8-15-16-9-7(11)4-6(5-17(8)9)10(12,13)14/h4-5H,2-3H2,1H3
InChIKeyHYVMLBRBSVNCEE-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.35
Rot. Bonds2

About 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142870114) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142870114
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C10H9ClF3N3/c1-2-3-8-15-16-9-7(11)4-6(5-17(8)9)10(12,13)14/h4-5H,2-3H2,1H3
InChIKeyHYVMLBRBSVNCEE-UHFFFAOYSA-N
XLogP3.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 79471481
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
CID 64673005
3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
CID 103157480
(2R)-2-amino-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide;hydrochloride
CID 119274071
[1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutyl]methanamine
CID 81165134
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62676097
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
CID 16575401
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 16572427
2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16567590
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 51936340

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 142870114) is 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CCCc1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HYVMLBRBSVNCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c1-2-3-8-15-16-9-7(11)4-6(5-17(8)9)10(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 263.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142870114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).