[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H10ClN5O — CID 117414013

IUPAC[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1nc(Cl)c2cccc(-c3noc(CN)n3)c21
InChIInChI=1S/C11H10ClN5O/c1-17-9-6(10(12)15-17)3-2-4-7(9)11-14-8(5-13)18-16-11/h2-4H,5,13H2,1H3
InChIKeyPHOLUVBKHHEAFB-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.74
Rot. Bonds2

About [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117414013) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117414013
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1nc(Cl)c2cccc(-c3noc(CN)n3)c21
InChIInChI=1S/C11H10ClN5O/c1-17-9-6(10(12)15-17)3-2-4-7(9)11-14-8(5-13)18-16-11/h2-4H,5,13H2,1H3
InChIKeyPHOLUVBKHHEAFB-UHFFFAOYSA-N
XLogP1.74
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117414013) is [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1nc(Cl)c2cccc(-c3noc(CN)n3)c21.
What is the InChIKey of [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PHOLUVBKHHEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-17-9-6(10(12)15-17)3-2-4-7(9)11-14-8(5-13)18-16-11/h2-4H,5,13H2,1H3.
What are the key properties of [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 263.69 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117414013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).