N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline

C19H18N4O — CID 154752004

IUPACN-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
SMILESCC(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccco1
InChIInChI=1S/C19H18N4O/c1-14(17-5-4-12-24-17)20-16-9-7-15(8-10-16)13-19-22-21-18-6-2-3-11-23(18)19/h2-12,14,20H,13H2,1H3
InChIKeyPWSAIDJXENTHNW-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline

N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline (PubChem CID 154752004) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
PubChem CID154752004
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
SMILESCC(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccco1
InChIInChI=1S/C19H18N4O/c1-14(17-5-4-12-24-17)20-16-9-7-15(8-10-16)13-19-22-21-18-6-2-3-11-23(18)19/h2-12,14,20H,13H2,1H3
InChIKeyPWSAIDJXENTHNW-UHFFFAOYSA-N
XLogP4.09
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline (CID 154752004) is N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline is CC(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The InChIKey is PWSAIDJXENTHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14(17-5-4-12-24-17)20-16-9-7-15(8-10-16)13-19-22-21-18-6-2-3-11-23(18)19/h2-12,14,20H,13H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline has a molecular weight of 318.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 154752004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).