[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

C7H8BrClN4O — CID 137176547

IUPAC[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cc(Br)c[nH]2)n1
InChIInChI=1S/C7H7BrN4O.ClH/c8-4-1-5(10-3-4)7-11-6(2-9)12-13-7;/h1,3,10H,2,9H2;1H
InChIKeyNNTRTXPAVANFJP-UHFFFAOYSA-N
MW279.53 g/mol
LogP1.71
Rot. Bonds2

About [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (PubChem CID 137176547) has the molecular formula C7H8BrClN4O and a molecular weight of 279.53 g/mol. Its IUPAC name is [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
PubChem CID137176547
Molecular FormulaC7H8BrClN4O
Molecular Weight279.53 g/mol
Exact Mass277.96
IUPAC Name[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cc(Br)c[nH]2)n1
InChIInChI=1S/C7H7BrN4O.ClH/c8-4-1-5(10-3-4)7-11-6(2-9)12-13-7;/h1,3,10H,2,9H2;1H
InChIKeyNNTRTXPAVANFJP-UHFFFAOYSA-N
XLogP1.71
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
CID 137194875
5-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136908028
5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812623
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323759
[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167972533
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324976
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
CID 79404984
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (CID 137176547) is [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is Cl.NCc1noc(-c2cc(Br)c[nH]2)n1.
What is the InChIKey of [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The InChIKey is NNTRTXPAVANFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O.ClH/c8-4-1-5(10-3-4)7-11-6(2-9)12-13-7;/h1,3,10H,2,9H2;1H.
What are the key properties of [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride has a molecular weight of 279.53 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 137176547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).