5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine

C8H9N5O — CID 114324963

IUPAC5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
SMILESNCc1cc(-c2nc(N)no2)ccn1
InChIInChI=1S/C8H9N5O/c9-4-6-3-5(1-2-11-6)7-12-8(10)13-14-7/h1-3H,4,9H2,(H2,10,13)
InChIKeyGAEFEKXXEMFVRJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.17
Rot. Bonds2

About 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine

5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine (PubChem CID 114324963) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
PubChem CID114324963
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
SMILESNCc1cc(-c2nc(N)no2)ccn1
InChIInChI=1S/C8H9N5O/c9-4-6-3-5(1-2-11-6)7-12-8(10)13-14-7/h1-3H,4,9H2,(H2,10,13)
InChIKeyGAEFEKXXEMFVRJ-UHFFFAOYSA-N
XLogP0.17
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 167848574
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine (CID 114324963) is 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine is NCc1cc(-c2nc(N)no2)ccn1.
What is the InChIKey of 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is GAEFEKXXEMFVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-4-6-3-5(1-2-11-6)7-12-8(10)13-14-7/h1-3H,4,9H2,(H2,10,13).
What are the key properties of 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine?
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 191.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 114324963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).