[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C10H9N5O — CID 42637357

IUPAC[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14)
InChIKeyJEIAXXDLYDZQPO-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.07
Rot. Bonds2

About [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637357) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637357
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14)
InChIKeyJEIAXXDLYDZQPO-UHFFFAOYSA-N
XLogP1.07
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
3-[3-tert-Butoxycarbonylaminomethyl-1,2,4-oxadiazol-5-yl]indazole
CID 42637980
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
5-(3-isopropyl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 8520597
3-(2-Methylphenyl)-5-[3-(propan-2-YL)-1H-pyrazol-5-YL]-1,2,4-oxadiazole
CID 16025859
5-(3-isopropyl-1H-pyrazol-5-yl)-3-(m-tolyl)-1,2,4-oxadiazole
CID 16025861
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355
tert-butyl N-[[5-[1-[(2,3,5-trifluorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637500

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 42637357) is [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is JEIAXXDLYDZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14).
What are the key properties of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).