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

C12H13N5O — CID 117359748

IUPAC[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nn(C)c2ccc(-c3noc(CN)n3)cc12
InChIInChI=1S/C12H13N5O/c1-7-9-5-8(3-4-10(9)17(2)15-7)12-14-11(6-13)18-16-12/h3-5H,6,13H2,1-2H3
InChIKeyBRQATDCOIIDLLJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.39
Rot. Bonds2

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

[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117359748) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117359748
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nn(C)c2ccc(-c3noc(CN)n3)cc12
InChIInChI=1S/C12H13N5O/c1-7-9-5-8(3-4-10(9)17(2)15-7)12-14-11(6-13)18-16-12/h3-5H,6,13H2,1-2H3
InChIKeyBRQATDCOIIDLLJ-UHFFFAOYSA-N
XLogP1.39
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411447
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
CID 115112711

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117359748) is [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1nn(C)c2ccc(-c3noc(CN)n3)cc12.
What is the InChIKey of [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BRQATDCOIIDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-9-5-8(3-4-10(9)17(2)15-7)12-14-11(6-13)18-16-12/h3-5H,6,13H2,1-2H3.
What are the key properties of [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117359748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).