1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine

C15H18N4O — CID 43203680

IUPAC1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2nnc3ccccn23)o1
InChIInChI=1S/C15H18N4O/c1-11-6-7-13(20-11)12(2)16-9-8-15-18-17-14-5-3-4-10-19(14)15/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyVFSOLGOAYADQQK-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine

1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (PubChem CID 43203680) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
PubChem CID43203680
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2nnc3ccccn23)o1
InChIInChI=1S/C15H18N4O/c1-11-6-7-13(20-11)12(2)16-9-8-15-18-17-14-5-3-4-10-19(14)15/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyVFSOLGOAYADQQK-UHFFFAOYSA-N
XLogP2.52
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43106751
N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
CID 97160726
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 94502820

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (CID 43203680) is 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCc2nnc3ccccn23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The InChIKey is VFSOLGOAYADQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-6-7-13(20-11)12(2)16-9-8-15-18-17-14-5-3-4-10-19(14)15/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43203680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).