[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine

C8H9N5O — CID 62596515

IUPAC[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESNNc1nc(Cc2ccccn2)no1
InChIInChI=1S/C8H9N5O/c9-12-8-11-7(13-14-8)5-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,11,12,13)
InChIKeyKLUMKTQQTRDWFZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.34
Rot. Bonds3

About [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine

[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine (PubChem CID 62596515) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
PubChem CID62596515
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESNNc1nc(Cc2ccccn2)no1
InChIInChI=1S/C8H9N5O/c9-12-8-11-7(13-14-8)5-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,11,12,13)
InChIKeyKLUMKTQQTRDWFZ-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811600
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343
2-fluoro-5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60837259
3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827593
1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347758
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The IUPAC name of [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine (CID 62596515) is [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine.
What is the SMILES notation for [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The canonical SMILES for [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine is NNc1nc(Cc2ccccn2)no1.
What is the InChIKey of [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The InChIKey is KLUMKTQQTRDWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-12-8-11-7(13-14-8)5-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,11,12,13).
What are the key properties of [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine?
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine has a molecular weight of 191.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine is sourced from PubChem (CID 62596515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).