5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine

C8H9N5O — CID 83618940

IUPAC5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine
SMILESNCc1nc(Nc2ccccn2)no1
InChIInChI=1S/C8H9N5O/c9-5-7-12-8(13-14-7)11-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,10,11,13)
InChIKeyWKCPTJRMSOQYOM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.67
Rot. Bonds3

About 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine

5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 83618940) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID83618940
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine
SMILESNCc1nc(Nc2ccccn2)no1
InChIInChI=1S/C8H9N5O/c9-5-7-12-8(13-14-7)11-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,10,11,13)
InChIKeyWKCPTJRMSOQYOM-UHFFFAOYSA-N
XLogP0.67
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-N-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 15184533
N'-pyridin-2-ylmethanediamine
CID 115225472
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 106958159
5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine
CID 84649929
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
N,6-dipyridin-2-ylpyridin-2-amine
CID 69235188
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 75356713
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine (CID 83618940) is 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine is NCc1nc(Nc2ccccn2)no1.
What is the InChIKey of 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is WKCPTJRMSOQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-5-7-12-8(13-14-7)11-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,10,11,13).
What are the key properties of 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 191.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 83618940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).