6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C10H10ClF3N4 — CID 114131249

IUPAC6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(CC(F)(F)F)Nc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C10H10ClF3N4/c1-6(4-10(12,13)14)15-9-16-8-3-2-7(11)5-18(8)17-9/h2-3,5-6H,4H2,1H3,(H,15,17)
InChIKeyDXEWWRFSMRKMLJ-UHFFFAOYSA-N
MW278.67 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114131249) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114131249
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(CC(F)(F)F)Nc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C10H10ClF3N4/c1-6(4-10(12,13)14)15-9-16-8-3-2-7(11)5-18(8)17-9/h2-3,5-6H,4H2,1H3,(H,15,17)
InChIKeyDXEWWRFSMRKMLJ-UHFFFAOYSA-N
XLogP3.14
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106282899
3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]butan-1-ol
CID 83187344
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
CID 86791264
6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113499143
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine
CID 116990174
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048230
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114131249) is 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(CC(F)(F)F)Nc1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DXEWWRFSMRKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-6(4-10(12,13)14)15-9-16-8-3-2-7(11)5-18(8)17-9/h2-3,5-6H,4H2,1H3,(H,15,17).
What are the key properties of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 278.67 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).