N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C15H14F3N5O — CID 57391610

IUPACN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyAGESYMPLKFHRBU-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.54
Rot. Bonds5

About N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57391610) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57391610
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC NameN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyAGESYMPLKFHRBU-UHFFFAOYSA-N
XLogP3.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Anisiflupurin
CID 25169483
N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine
CID 53372541
N-(3-methoxyphenyl)-9H-purin-6-amine
CID 670977
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093987
2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 11220975
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
1-Ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385828
N*2*-(4-Amino-cyclohexyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 21988220
N*2*-(2-Amino-ethyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 21988310
N*2*-((1R,2S)-2-Amino-cyclohexyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 44385797

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57391610) is N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is CCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AGESYMPLKFHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 337.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).