N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C20H23F3N6O — CID 57398622

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H23F3N6O/c1-2-28-10-8-14(9-11-28)13-24-18-7-6-17-19(25-18)29(27-26-17)15-4-3-5-16(12-15)30-20(21,22)23/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,25)
InChIKeyNZGXLPDVPVIGQT-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.86
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57398622) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57398622
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H23F3N6O/c1-2-28-10-8-14(9-11-28)13-24-18-7-6-17-19(25-18)29(27-26-17)15-4-3-5-16(12-15)30-20(21,22)23/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,25)
InChIKeyNZGXLPDVPVIGQT-UHFFFAOYSA-N
XLogP3.86
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 24795070
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CID 53372790
CID 53372790
CID 11220975
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CID 13385738
CID 13385738
CID 21988220
CID 21988220
CID 21988310
CID 21988310
CID 25025645
CID 25025645
CID 44385797
CID 44385797
CID 44530412
CID 44530412
CID 44530413
CID 44530413
CID 53372416
CID 53372416

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57398622) is N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is CCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NZGXLPDVPVIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-2-28-10-8-14(9-11-28)13-24-18-7-6-17-19(25-18)29(27-26-17)15-4-3-5-16(12-15)30-20(21,22)23/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,25).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 420.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57398622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).